SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-O-b0dcf761/inputs/seq.fa: 1
curr_seq: _CUAGUAUUCGCAUAGACCCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUAGUAUUCGCAUAGACCCUA
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: -116.918944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.918944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.918944 (E_RNA)
where:
Base-Base interactions energy: -49.561
where: short stacking energy: -44.807
Base-Backbone interact. energy: -2.011
local terms energy: -65.346671
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -121.304388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.304388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.304388 (E_RNA)
where:
Base-Base interactions energy: -60.685
where: short stacking energy: -41.312
Base-Backbone interact. energy: -0.001
local terms energy: -60.618178
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -6.744
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -117.618506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.618506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.618506 (E_RNA)
where:
Base-Base interactions energy: -65.751
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.463
local terms energy: -51.404956
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -132.043761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.043761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.043761 (E_RNA)
where:
Base-Base interactions energy: -73.209
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.026
local terms energy: -58.808729
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -97.599138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.599138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.599138 (E_RNA)
where:
Base-Base interactions energy: -46.912
where: short stacking energy: -11.710
Base-Backbone interact. energy: -0.350
local terms energy: -50.336932
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -1.202
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -93.467960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.467960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.467960 (E_RNA)
where:
Base-Base interactions energy: -36.019
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.328
local terms energy: -57.121176
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -95.159207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.159207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.159207 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -35.223
Base-Backbone interact. energy: -0.095
local terms energy: -52.189855
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -86.792706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792706 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.080
local terms energy: -56.496527
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -77.067186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067186 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.067186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067186 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -127.305304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.305304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.305304 (E_RNA)
where:
Base-Base interactions energy: -51.335
where: short stacking energy: -51.335
Base-Backbone interact. energy: -0.000
local terms energy: -75.970219
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -17.772
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -138.556825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.556825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.556825 (E_RNA)
where:
Base-Base interactions energy: -73.436
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.010
local terms energy: -65.110713
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -143.601200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.601200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.601200 (E_RNA)
where:
Base-Base interactions energy: -81.258
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.097
local terms energy: -62.245851
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -121.508702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.508702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.508702 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.198
local terms energy: -61.485698
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -92.427723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.427723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.427723 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.427
local terms energy: -49.974196
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -116.484507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.484507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.484507 (E_RNA)
where:
Base-Base interactions energy: -57.645
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.589
local terms energy: -58.251036
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -88.749814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.749814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.749814 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.037
local terms energy: -53.720400
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -82.036184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036184 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.155
local terms energy: -45.750826
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -76.704885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.704885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.704885 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -17.183
Base-Backbone interact. energy: -0.307
local terms energy: -43.939081
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -73.155472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.155472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.155472 (E_RNA)
where:
Base-Base interactions energy: -28.292
where: short stacking energy: -25.444
Base-Backbone interact. energy: -0.001
local terms energy: -44.862400
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -135.652881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.652881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.652881 (E_RNA)
where:
Base-Base interactions energy: -62.551
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.001
local terms energy: -73.101068
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -14.110
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -180.197797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.197797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.197797 (E_RNA)
where:
Base-Base interactions energy: -108.531
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.006
local terms energy: -71.660404
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -138.804807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.804807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.804807 (E_RNA)
where:
Base-Base interactions energy: -72.407
where: short stacking energy: -47.509
Base-Backbone interact. energy: -0.080
local terms energy: -66.318319
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -9.897
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -123.590149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.590149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.590149 (E_RNA)
where:
Base-Base interactions energy: -68.955
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.390
local terms energy: -54.245450
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -119.675288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.675288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.675288 (E_RNA)
where:
Base-Base interactions energy: -61.070
where: short stacking energy: -42.773
Base-Backbone interact. energy: -0.157
local terms energy: -58.448122
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.757378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.757378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.757378 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.093
local terms energy: -52.818319
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -12.132
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -82.664494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664494 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.019
local terms energy: -55.007848
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -73.982834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.982834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.982834 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.067
local terms energy: -47.763323
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -75.544373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.544373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.544373 (E_RNA)
where:
Base-Base interactions energy: -28.191
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.254
local terms energy: -47.099820
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -87.169147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.169147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.169147 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -17.710
Base-Backbone interact. energy: -0.070
local terms energy: -54.642364
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -139.862973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.862973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.862973 (E_RNA)
where:
Base-Base interactions energy: -63.296
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.001
local terms energy: -76.566533
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -185.551884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.551884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.551884 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.003
local terms energy: -68.721228
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -141.802122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.802122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.802122 (E_RNA)
where:
Base-Base interactions energy: -90.576
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.349
local terms energy: -50.876740
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -1.445
tors. eta vs tors. theta energy: -6.800
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -139.738927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.738927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.738927 (E_RNA)
where:
Base-Base interactions energy: -70.185
where: short stacking energy: -38.170
Base-Backbone interact. energy: -0.113
local terms energy: -69.440778
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -158.262427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.262427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.262427 (E_RNA)
where:
Base-Base interactions energy: -102.257
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.100
local terms energy: -55.905283
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -7.066
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -106.818987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.818987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.818987 (E_RNA)
where:
Base-Base interactions energy: -45.434
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.017
local terms energy: -61.368379
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -93.456398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.456398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.456398 (E_RNA)
where:
Base-Base interactions energy: -44.450
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.571
local terms energy: -48.436052
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -89.569489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.569489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.569489 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.082
local terms energy: -56.248328
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -83.316213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.316213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.316213 (E_RNA)
where:
Base-Base interactions energy: -30.112
where: short stacking energy: -19.044
Base-Backbone interact. energy: -0.001
local terms energy: -53.203160
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -78.078342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078342 (E_RNA)
where:
Base-Base interactions energy: -29.276
where: short stacking energy: -21.988
Base-Backbone interact. energy: -0.298
local terms energy: -48.503798
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -8.217
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -188.964864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964864 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.006
local terms energy: -71.860341
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -134.320047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.320047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.320047 (E_RNA)
where:
Base-Base interactions energy: -57.334
where: short stacking energy: -54.845
Base-Backbone interact. energy: -0.117
local terms energy: -76.869123
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -139.450570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.450570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.450570 (E_RNA)
where:
Base-Base interactions energy: -81.154
where: short stacking energy: -36.590
Base-Backbone interact. energy: -1.145
local terms energy: -57.151415
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -150.534657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.534657 (E_RNA)
where:
Base-Base interactions energy: -90.688
where: short stacking energy: -46.174
Base-Backbone interact. energy: -0.229
local terms energy: -59.617004
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -10.360
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: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -157.721890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.721890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.721890 (E_RNA)
where:
Base-Base interactions energy: -97.621
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.916
local terms energy: -59.185034
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -105.960341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.960341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.960341 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -38.313
Base-Backbone interact. energy: -0.073
local terms energy: -67.575221
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -100.473468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.473468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.473468 (E_RNA)
where:
Base-Base interactions energy: -53.227
where: short stacking energy: -34.811
Base-Backbone interact. energy: -0.735
local terms energy: -46.510959
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: 0.882
tors. eta vs tors. theta energy: -8.928
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: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.475801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.475801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.475801 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -20.182
Base-Backbone interact. energy: -0.103
local terms energy: -53.306463
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -80.198060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.198060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.198060 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.189
local terms energy: -44.281318
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -76.873148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.873148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.873148 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -33.465
Base-Backbone interact. energy: -0.087
local terms energy: -38.747497
where:
bonds (distance) C4'-P energy: -6.952
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -194.481624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.481624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.481624 (E_RNA)
where:
Base-Base interactions energy: -115.645
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.019
local terms energy: -78.817672
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -137.590249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.590249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.590249 (E_RNA)
where:
Base-Base interactions energy: -78.548
where: short stacking energy: -40.082
Base-Backbone interact. energy: 0.002
local terms energy: -59.044866
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -133.429212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.429212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.429212 (E_RNA)
where:
Base-Base interactions energy: -64.764
where: short stacking energy: -39.528
Base-Backbone interact. energy: -0.031
local terms energy: -68.634453
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -12.555
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: 7
Temperature: 1.050000
Total energy: -169.028383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.028383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.028383 (E_RNA)
where:
Base-Base interactions energy: -101.606
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.133
local terms energy: -67.289337
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -140.869867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.869867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.869867 (E_RNA)
where:
Base-Base interactions energy: -89.231
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.334
local terms energy: -51.304217
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.925
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: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -90.252951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252951 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -39.222
Base-Backbone interact. energy: -0.232
local terms energy: -45.802781
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -5.165
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -85.018941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.018941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.018941 (E_RNA)
where:
Base-Base interactions energy: -38.551
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.863
local terms energy: -45.605604
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -94.460723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.460723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.460723 (E_RNA)
where:
Base-Base interactions energy: -34.619
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.572
local terms energy: -59.270602
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -84.935342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.935342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.935342 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.372
local terms energy: -48.438826
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -72.236862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.236862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.236862 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -17.638
Base-Backbone interact. energy: -0.177
local terms energy: -44.075079
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -191.857952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.857952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.857952 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.147
local terms energy: -71.020409
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.052
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: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -140.594878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.594878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.594878 (E_RNA)
where:
Base-Base interactions energy: -77.524
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.128
local terms energy: -62.942214
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.451
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: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -177.073307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.073307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.073307 (E_RNA)
where:
Base-Base interactions energy: -113.309
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.897
local terms energy: -62.867238
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -6.328
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -120.025009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.025009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.025009 (E_RNA)
where:
Base-Base interactions energy: -57.807
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.028
local terms energy: -62.190078
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -143.245850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.245850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.245850 (E_RNA)
where:
Base-Base interactions energy: -81.597
where: short stacking energy: -44.846
Base-Backbone interact. energy: -0.123
local terms energy: -61.526089
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -98.658589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.658589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.658589 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -35.372
Base-Backbone interact. energy: -0.028
local terms energy: -63.258663
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -88.181222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.181222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.181222 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.033
local terms energy: -51.301147
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -86.273046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273046 (E_RNA)
where:
Base-Base interactions energy: -27.719
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.079
local terms energy: -58.474912
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -80.498806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.498806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.498806 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.332
local terms energy: -50.413752
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -73.796696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.796696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.796696 (E_RNA)
where:
Base-Base interactions energy: -21.529
where: short stacking energy: -19.011
Base-Backbone interact. energy: 0.381
local terms energy: -52.648723
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -199.281851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.281851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.281851 (E_RNA)
where:
Base-Base interactions energy: -121.215
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.018
local terms energy: -78.048644
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -203.847653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.847653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.847653 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.003
local terms energy: -70.411788
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -130.141525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.141525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.141525 (E_RNA)
where:
Base-Base interactions energy: -60.564
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.337
local terms energy: -69.240170
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -159.610608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.610608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.610608 (E_RNA)
where:
Base-Base interactions energy: -92.774
where: short stacking energy: -53.092
Base-Backbone interact. energy: -0.113
local terms energy: -66.723941
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.531
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -131.330577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.330577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.330577 (E_RNA)
where:
Base-Base interactions energy: -70.327
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.246
local terms energy: -60.757969
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -98.161356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161356 (E_RNA)
where:
Base-Base interactions energy: -38.689
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.209
local terms energy: -59.262522
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -90.850556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.850556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.850556 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -34.061
Base-Backbone interact. energy: 1.479
local terms energy: -50.359352
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -91.491358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491358 (E_RNA)
where:
Base-Base interactions energy: -39.761
where: short stacking energy: -34.294
Base-Backbone interact. energy: -0.032
local terms energy: -51.698363
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -80.818618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.818618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.818618 (E_RNA)
where:
Base-Base interactions energy: -34.322
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.291
local terms energy: -46.205607
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -76.396720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.396720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.396720 (E_RNA)
where:
Base-Base interactions energy: -25.419
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.094
local terms energy: -50.883767
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.132
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: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -203.833016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.833016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.833016 (E_RNA)
where:
Base-Base interactions energy: -125.169
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.005
local terms energy: -78.658924
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -187.147400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.147400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.147400 (E_RNA)
where:
Base-Base interactions energy: -110.888
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.010
local terms energy: -76.249500
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -10.714
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: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -158.241836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.241836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.241836 (E_RNA)
where:
Base-Base interactions energy: -90.493
where: short stacking energy: -48.886
Base-Backbone interact. energy: -0.469
local terms energy: -67.279087
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -144.261159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.261159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.261159 (E_RNA)
where:
Base-Base interactions energy: -74.292
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.079
local terms energy: -69.889546
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -13.977
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: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -132.365427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.365427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.365427 (E_RNA)
where:
Base-Base interactions energy: -77.841
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.163
local terms energy: -54.361381
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -92.233888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.233888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.233888 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -24.885
Base-Backbone interact. energy: 0.960
local terms energy: -55.958111
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -85.146283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.146283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.146283 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -23.615
Base-Backbone interact. energy: -0.158
local terms energy: -59.222967
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -77.068804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068804 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -24.906
Base-Backbone interact. energy: -0.423
local terms energy: -49.085516
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: 3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -78.609512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.609512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.609512 (E_RNA)
where:
Base-Base interactions energy: -22.317
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.143
local terms energy: -56.149675
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -73.509016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.509016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.509016 (E_RNA)
where:
Base-Base interactions energy: -23.170
where: short stacking energy: -23.170
Base-Backbone interact. energy: -0.006
local terms energy: -50.333495
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -207.711835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.711835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.711835 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.029
local terms energy: -74.463298
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -200.368756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.368756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.368756 (E_RNA)
where:
Base-Base interactions energy: -125.946
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.144
local terms energy: -74.278614
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -171.361115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.361115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.361115 (E_RNA)
where:
Base-Base interactions energy: -109.370
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.023
local terms energy: -61.968302
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -10.312
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: 11
Temperature: 1.050000
Total energy: -186.513445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.513445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.513445 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.093
local terms energy: -74.096270
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -150.099866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.099866 (E_RNA)
where:
Base-Base interactions energy: -84.919
where: short stacking energy: -42.762
Base-Backbone interact. energy: -0.270
local terms energy: -64.911026
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -109.408921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.408921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.408921 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -35.327
Base-Backbone interact. energy: -0.064
local terms energy: -65.117212
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -12.539
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: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -89.841398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.841398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.841398 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -25.088
Base-Backbone interact. energy: -0.210
local terms energy: -50.011270
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -80.170435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170435 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.783
local terms energy: -42.476140
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -68.191871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.191871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.191871 (E_RNA)
where:
Base-Base interactions energy: -21.356
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.297
local terms energy: -46.538121
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -78.908763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908763 (E_RNA)
where:
Base-Base interactions energy: -30.496
where: short stacking energy: -26.115
Base-Backbone interact. energy: -0.322
local terms energy: -48.090552
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -1.845
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -203.752474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.752474 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.003
local terms energy: -81.185414
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.806
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: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -208.564304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564304 (E_RNA)
where:
Base-Base interactions energy: -135.351
where: short stacking energy: -55.827
Base-Backbone interact. energy: 0.061
local terms energy: -73.274479
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -18.297
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: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -186.682004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.682004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.682004 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.004
local terms energy: -67.691503
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -16.954
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -168.629854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.629854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.629854 (E_RNA)
where:
Base-Base interactions energy: -101.728
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.103
local terms energy: -66.798784
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -106.643637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.643637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.643637 (E_RNA)
where:
Base-Base interactions energy: -49.543
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.178
local terms energy: -56.922085
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -130.134517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.134517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.134517 (E_RNA)
where:
Base-Base interactions energy: -69.843
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.054
local terms energy: -60.237565
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -101.614447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.614447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.614447 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -38.717
Base-Backbone interact. energy: -0.081
local terms energy: -58.084443
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -8.579
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: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -91.879230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879230 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -39.179
Base-Backbone interact. energy: -0.850
local terms energy: -51.167486
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -72.517956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.517956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.517956 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.011
local terms energy: -44.135323
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -76.641300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.641300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.641300 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -25.036
Base-Backbone interact. energy: 0.104
local terms energy: -47.955810
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -205.313277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313277 (E_RNA)
where:
Base-Base interactions energy: -125.731
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.899
local terms energy: -78.683965
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.717
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: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -187.621010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.621010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.621010 (E_RNA)
where:
Base-Base interactions energy: -110.402
where: short stacking energy: -55.461
Base-Backbone interact. energy: -0.072
local terms energy: -77.147018
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -13.159
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -195.187539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.187539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.187539 (E_RNA)
where:
Base-Base interactions energy: -122.076
where: short stacking energy: -53.890
Base-Backbone interact. energy: -0.470
local terms energy: -72.640881
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -171.765420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.765420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.765420 (E_RNA)
where:
Base-Base interactions energy: -101.781
where: short stacking energy: -46.430
Base-Backbone interact. energy: -0.238
local terms energy: -69.746372
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.143
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: 5, replica: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -106.772955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.772955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.772955 (E_RNA)
where:
Base-Base interactions energy: -51.202
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.077
local terms energy: -55.493686
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -7.133
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: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -104.884374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.884374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.884374 (E_RNA)
where:
Base-Base interactions energy: -50.435
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.882
local terms energy: -53.567404
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -77.772185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.772185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.772185 (E_RNA)
where:
Base-Base interactions energy: -24.680
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.236
local terms energy: -52.856071
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -84.108094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.108094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.108094 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.050
local terms energy: -41.901595
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -84.731774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.731774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.731774 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -31.752
Base-Backbone interact. energy: -0.101
local terms energy: -52.879076
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -1.641
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -93.196322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.196322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.196322 (E_RNA)
where:
Base-Base interactions energy: -51.991
where: short stacking energy: -27.766
Base-Backbone interact. energy: -0.178
local terms energy: -41.027352
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -205.008804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.008804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.008804 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.001
local terms energy: -81.088295
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -20.639
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: 14
Temperature: 0.950000
Total energy: -192.905021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.905021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905021 (E_RNA)
where:
Base-Base interactions energy: -116.553
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.009
local terms energy: -76.343725
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -175.220647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220647 (E_RNA)
where:
Base-Base interactions energy: -106.014
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.017
local terms energy: -69.189080
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -156.903787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.903787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.903787 (E_RNA)
where:
Base-Base interactions energy: -90.884
where: short stacking energy: -31.872
Base-Backbone interact. energy: -0.673
local terms energy: -65.347082
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -121.841589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.841589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.841589 (E_RNA)
where:
Base-Base interactions energy: -66.398
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.069
local terms energy: -55.374686
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.371
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: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -89.449806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449806 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.523
local terms energy: -57.593366
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -94.452608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.452608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.452608 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -35.908
Base-Backbone interact. energy: -0.170
local terms energy: -58.029588
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -86.952354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952354 (E_RNA)
where:
Base-Base interactions energy: -30.051
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.360
local terms energy: -56.541650
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -75.418263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.418263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.418263 (E_RNA)
where:
Base-Base interactions energy: -20.999
where: short stacking energy: -18.438
Base-Backbone interact. energy: -0.081
local terms energy: -54.338004
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -72.229496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.229496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.229496 (E_RNA)
where:
Base-Base interactions energy: -21.868
where: short stacking energy: -16.229
Base-Backbone interact. energy: -0.149
local terms energy: -50.212831
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -202.129856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.129856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.129856 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.037
local terms energy: -72.801582
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -192.871115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.871115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.871115 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.015
local terms energy: -71.286531
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.602
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -182.838819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.838819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.838819 (E_RNA)
where:
Base-Base interactions energy: -111.292
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.001
local terms energy: -71.545961
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -17.924
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: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -124.841257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.841257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.841257 (E_RNA)
where:
Base-Base interactions energy: -55.764
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.060
local terms energy: -69.016874
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -160.416835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.416835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.416835 (E_RNA)
where:
Base-Base interactions energy: -97.865
where: short stacking energy: -50.914
Base-Backbone interact. energy: -0.181
local terms energy: -62.371691
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -6.893
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: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -87.665611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665611 (E_RNA)
where:
Base-Base interactions energy: -36.811
where: short stacking energy: -26.465
Base-Backbone interact. energy: -0.113
local terms energy: -50.741518
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -77.352823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352823 (E_RNA)
where:
Base-Base interactions energy: -30.122
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.071
local terms energy: -47.159107
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -96.226481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226481 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -31.466
Base-Backbone interact. energy: -0.235
local terms energy: -51.680986
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -82.931633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.931633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.931633 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -18.865
Base-Backbone interact. energy: -0.153
local terms energy: -43.243350
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -80.718905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.718905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.718905 (E_RNA)
where:
Base-Base interactions energy: -28.534
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.007
local terms energy: -52.178411
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -203.844723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.844723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.844723 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.009
local terms energy: -76.720481
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -17.048
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -201.593985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.593985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.593985 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.019
local terms energy: -73.764539
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -176.380855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380855 (E_RNA)
where:
Base-Base interactions energy: -102.083
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.096
local terms energy: -74.201897
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.867
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -109.850556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.850556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.850556 (E_RNA)
where:
Base-Base interactions energy: -59.008
where: short stacking energy: -42.849
Base-Backbone interact. energy: 0.455
local terms energy: -51.298020
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -168.408933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.408933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.408933 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.582
local terms energy: -65.799630
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -100.662510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.662510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.662510 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.051
local terms energy: -57.084492
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -88.549899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.549899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.549899 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.167
local terms energy: -50.670612
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -82.988663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.988663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.988663 (E_RNA)
where:
Base-Base interactions energy: -32.137
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.311
local terms energy: -50.540631
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.328
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: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -108.775396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.775396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.775396 (E_RNA)
where:
Base-Base interactions energy: -69.058
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.077
local terms energy: -39.639976
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -73.662740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.662740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.662740 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -14.342
Base-Backbone interact. energy: 2.191
local terms energy: -45.169991
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 1.924
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: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -206.563724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.563724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.563724 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -63.029
Base-Backbone interact. energy: 0.192
local terms energy: -72.658527
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -17.497
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: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -194.548346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.548346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.548346 (E_RNA)
where:
Base-Base interactions energy: -121.154
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.391
local terms energy: -73.004189
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -15.484
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -190.202881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.202881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.202881 (E_RNA)
where:
Base-Base interactions energy: -122.691
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.008
local terms energy: -67.504085
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -177.743432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.743432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.743432 (E_RNA)
where:
Base-Base interactions energy: -112.774
where: short stacking energy: -56.085
Base-Backbone interact. energy: 0.436
local terms energy: -65.405347
where:
bonds (distance) C4'-P energy: -7.147
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -101.768353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.768353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.768353 (E_RNA)
where:
Base-Base interactions energy: -47.370
where: short stacking energy: -26.823
Base-Backbone interact. energy: -0.367
local terms energy: -54.031371
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -0.278
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: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -96.930697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.930697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.930697 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -34.551
Base-Backbone interact. energy: 0.776
local terms energy: -57.327830
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -103.112023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.112023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.112023 (E_RNA)
where:
Base-Base interactions energy: -46.239
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.021
local terms energy: -56.852143
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -9.218
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: 17
Temperature: 1.250000
Total energy: -83.650735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.650735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.650735 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.927
local terms energy: -47.640053
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: 0.092
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -86.018300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.018300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.018300 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -24.597
Base-Backbone interact. energy: -1.197
local terms energy: -52.130465
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -7.153
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: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.624588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.624588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.624588 (E_RNA)
where:
Base-Base interactions energy: -22.460
where: short stacking energy: -22.460
Base-Backbone interact. energy: -0.218
local terms energy: -51.946575
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.476
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: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -209.676534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.676534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.676534 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.002
local terms energy: -69.454066
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -193.155227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.155227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.155227 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.047
local terms energy: -71.167065
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -192.921580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921580 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -61.697
Base-Backbone interact. energy: 0.880
local terms energy: -70.627531
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -161.466122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.466122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.466122 (E_RNA)
where:
Base-Base interactions energy: -95.739
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.686
local terms energy: -65.041563
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -108.066261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.066261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.066261 (E_RNA)
where:
Base-Base interactions energy: -49.195
where: short stacking energy: -47.872
Base-Backbone interact. energy: -0.262
local terms energy: -58.609461
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -5.708
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -90.388767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.388767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.388767 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -35.907
Base-Backbone interact. energy: -0.160
local terms energy: -54.321664
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -104.823311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.823311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.823311 (E_RNA)
where:
Base-Base interactions energy: -55.349
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.429
local terms energy: -49.045230
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -10.179
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -75.544472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.544472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.544472 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -24.648
Base-Backbone interact. energy: 1.625
local terms energy: -49.009776
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -80.198150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.198150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.198150 (E_RNA)
where:
Base-Base interactions energy: -30.933
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.153
local terms energy: -49.111713
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.109828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.109828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.109828 (E_RNA)
where:
Base-Base interactions energy: -29.259
where: short stacking energy: -21.265
Base-Backbone interact. energy: -1.157
local terms energy: -42.693664
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -207.127906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.127906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.127906 (E_RNA)
where:
Base-Base interactions energy: -128.625
where: short stacking energy: -52.610
Base-Backbone interact. energy: -0.006
local terms energy: -78.496940
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -191.966792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.966792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.966792 (E_RNA)
where:
Base-Base interactions energy: -120.130
where: short stacking energy: -60.029
Base-Backbone interact. energy: -0.015
local terms energy: -71.821272
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -194.420464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.420464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.420464 (E_RNA)
where:
Base-Base interactions energy: -124.701
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.174
local terms energy: -69.545811
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -178.006272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.006272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.006272 (E_RNA)
where:
Base-Base interactions energy: -113.920
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.059
local terms energy: -64.027143
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -111.408106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.408106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.408106 (E_RNA)
where:
Base-Base interactions energy: -52.952
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.495
local terms energy: -57.960924
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -97.228863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.228863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.228863 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -29.357
Base-Backbone interact. energy: 1.412
local terms energy: -61.371859
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -13.867
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -94.369414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369414 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.098
local terms energy: -56.939977
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -90.346089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.346089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.346089 (E_RNA)
where:
Base-Base interactions energy: -32.786
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.088
local terms energy: -57.471968
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -78.131276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.131276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.131276 (E_RNA)
where:
Base-Base interactions energy: -24.033
where: short stacking energy: -24.033
Base-Backbone interact. energy: -0.114
local terms energy: -53.984661
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -4.475
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -80.987051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987051 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.098
local terms energy: -47.477076
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -200.361703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.361703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.361703 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.603
local terms energy: -72.568353
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -10.471
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: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -188.659524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.659524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.659524 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -57.498
Base-Backbone interact. energy: -0.283
local terms energy: -72.745992
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -7.645
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -184.274616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274616 (E_RNA)
where:
Base-Base interactions energy: -118.454
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.081
local terms energy: -65.738887
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -172.909640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.909640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.909640 (E_RNA)
where:
Base-Base interactions energy: -112.452
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.093
local terms energy: -60.364514
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -13.704
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: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -101.737220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.737220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.737220 (E_RNA)
where:
Base-Base interactions energy: -38.261
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.112
local terms energy: -63.364824
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -11.192
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: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -87.828959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828959 (E_RNA)
where:
Base-Base interactions energy: -41.002
where: short stacking energy: -23.977
Base-Backbone interact. energy: -0.101
local terms energy: -46.726072
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -1.198
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -90.854890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.854890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.854890 (E_RNA)
where:
Base-Base interactions energy: -36.420
where: short stacking energy: -37.520
Base-Backbone interact. energy: -0.087
local terms energy: -54.347571
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -100.229948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.229948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.229948 (E_RNA)
where:
Base-Base interactions energy: -47.386
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.031
local terms energy: -52.812342
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -5.069
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: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -84.780937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.780937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.780937 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.219
local terms energy: -52.142993
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -69.236300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.236300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.236300 (E_RNA)
where:
Base-Base interactions energy: -26.514
where: short stacking energy: -15.820
Base-Backbone interact. energy: 1.411
local terms energy: -44.133104
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: 5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -189.899178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.899178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.899178 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.042
local terms energy: -69.821685
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.788
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: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -195.953034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.953034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.953034 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -67.029
Base-Backbone interact. energy: 0.376
local terms energy: -70.898789
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -19.742
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -190.462348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462348 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -64.650
Base-Backbone interact. energy: -0.076
local terms energy: -67.213008
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -178.639363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639363 (E_RNA)
where:
Base-Base interactions energy: -107.952
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.141
local terms energy: -70.546853
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -13.268
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -102.721940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.721940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.721940 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -42.783
Base-Backbone interact. energy: -0.021
local terms energy: -59.918398
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -91.704964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.704964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.704964 (E_RNA)
where:
Base-Base interactions energy: -41.479
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.549
local terms energy: -49.677103
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -88.326026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.326026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.326026 (E_RNA)
where:
Base-Base interactions energy: -31.372
where: short stacking energy: -25.200
Base-Backbone interact. energy: -1.386
local terms energy: -55.567506
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -76.560702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560702 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -18.847
Base-Backbone interact. energy: -0.266
local terms energy: -48.633831
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -94.230896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.230896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.230896 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -31.182
Base-Backbone interact. energy: 0.514
local terms energy: -52.514090
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -71.203989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.203989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.203989 (E_RNA)
where:
Base-Base interactions energy: -26.169
where: short stacking energy: -26.169
Base-Backbone interact. energy: -0.145
local terms energy: -44.890745
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -205.674426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.674426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.674426 (E_RNA)
where:
Base-Base interactions energy: -127.555
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.003
local terms energy: -78.116483
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -184.666530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.666530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.666530 (E_RNA)
where:
Base-Base interactions energy: -117.938
where: short stacking energy: -57.552
Base-Backbone interact. energy: -0.873
local terms energy: -65.855351
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -179.105875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.105875 (E_RNA)
where:
Base-Base interactions energy: -106.169
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.085
local terms energy: -72.851499
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -17.349
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: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -182.927424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.927424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.927424 (E_RNA)
where:
Base-Base interactions energy: -108.821
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.123
local terms energy: -73.983050
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -14.812
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: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -106.720987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.720987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.720987 (E_RNA)
where:
Base-Base interactions energy: -44.352
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.002
local terms energy: -62.367357
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -97.081616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081616 (E_RNA)
where:
Base-Base interactions energy: -41.415
where: short stacking energy: -39.687
Base-Backbone interact. energy: -0.036
local terms energy: -55.630991
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -7.381
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: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -90.750462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.750462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.750462 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.021
local terms energy: -60.143527
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -90.378190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.378190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.378190 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.157
local terms energy: -56.149745
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.272
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -78.750658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750658 (E_RNA)
where:
Base-Base interactions energy: -33.329
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.302
local terms energy: -45.119602
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -1.296
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -70.418861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.418861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.418861 (E_RNA)
where:
Base-Base interactions energy: -21.258
where: short stacking energy: -20.672
Base-Backbone interact. energy: -0.127
local terms energy: -49.033023
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -200.000043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.000043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.000043 (E_RNA)
where:
Base-Base interactions energy: -127.251
where: short stacking energy: -61.576
Base-Backbone interact. energy: -0.792
local terms energy: -71.957707
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -196.822037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.822037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.822037 (E_RNA)
where:
Base-Base interactions energy: -120.784
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.006
local terms energy: -76.031247
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -193.585123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585123 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.152
local terms energy: -67.550860
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.365
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: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -181.111766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.111766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.111766 (E_RNA)
where:
Base-Base interactions energy: -105.081
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.093
local terms energy: -75.937237
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -87.235828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235828 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.085
local terms energy: -56.578622
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -102.136814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.136814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.136814 (E_RNA)
where:
Base-Base interactions energy: -48.521
where: short stacking energy: -26.726
Base-Backbone interact. energy: -0.262
local terms energy: -53.354159
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -112.837911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.837911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.837911 (E_RNA)
where:
Base-Base interactions energy: -65.853
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.021
local terms energy: -46.963968
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -79.628079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.628079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.628079 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -24.632
Base-Backbone interact. energy: -0.247
local terms energy: -53.765160
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -75.630852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.630852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.630852 (E_RNA)
where:
Base-Base interactions energy: -23.615
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.984
local terms energy: -51.032569
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -72.066520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.066520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.066520 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -17.483
Base-Backbone interact. energy: -0.245
local terms energy: -38.014451
where:
bonds (distance) C4'-P energy: -4.961
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: 3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -208.238668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238668 (E_RNA)
where:
Base-Base interactions energy: -125.766
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.005
local terms energy: -82.467662
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -23.269
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: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -195.184333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184333 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.035
local terms energy: -80.555109
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -185.290531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.290531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.290531 (E_RNA)
where:
Base-Base interactions energy: -115.066
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.070
local terms energy: -70.154599
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -195.867090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.867090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.867090 (E_RNA)
where:
Base-Base interactions energy: -122.984
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.001
local terms energy: -72.881887
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -123.010591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.010591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.010591 (E_RNA)
where:
Base-Base interactions energy: -62.969
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.038
local terms energy: -60.003404
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -93.362499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362499 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -39.952
Base-Backbone interact. energy: -0.171
local terms energy: -53.048065
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -84.913228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913228 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.007
local terms energy: -45.637378
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -84.520727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520727 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.084
local terms energy: -47.613525
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.076
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -83.270432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.270432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.270432 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -18.449
Base-Backbone interact. energy: -0.031
local terms energy: -48.350636
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -77.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.141879 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.046
local terms energy: -48.043279
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -214.842232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.842232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.842232 (E_RNA)
where:
Base-Base interactions energy: -131.517
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.029
local terms energy: -83.296446
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -195.244639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.244639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.244639 (E_RNA)
where:
Base-Base interactions energy: -116.747
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.122
local terms energy: -78.375091
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -195.770616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.770616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.770616 (E_RNA)
where:
Base-Base interactions energy: -118.825
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.724
local terms energy: -76.221454
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -187.933551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.933551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.933551 (E_RNA)
where:
Base-Base interactions energy: -116.068
where: short stacking energy: -48.619
Base-Backbone interact. energy: -1.092
local terms energy: -70.774283
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.255
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: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -167.475325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.475325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.475325 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -47.698
Base-Backbone interact. energy: -0.268
local terms energy: -63.133843
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.203
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: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -82.433341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433341 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.311
local terms energy: -39.935737
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -98.564231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.564231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.564231 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.100
local terms energy: -56.941920
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -80.622702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622702 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.256
local terms energy: -52.757881
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -78.806152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.806152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.806152 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -29.772
Base-Backbone interact. energy: 0.541
local terms energy: -49.440458
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.827212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.827212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.827212 (E_RNA)
where:
Base-Base interactions energy: -30.036
where: short stacking energy: -30.036
Base-Backbone interact. energy: -0.022
local terms energy: -45.769500
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -209.811523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.811523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.811523 (E_RNA)
where:
Base-Base interactions energy: -132.843
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.020
local terms energy: -76.948279
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -193.417158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.417158 (E_RNA)
where:
Base-Base interactions energy: -115.188
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.072
local terms energy: -78.157665
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -16.992
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: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -200.371613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.371613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.371613 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.037
local terms energy: -72.143439
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -13.456
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: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -193.379663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.379663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.379663 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.035
local terms energy: -73.469467
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -172.170964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.170964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.170964 (E_RNA)
where:
Base-Base interactions energy: -105.224
where: short stacking energy: -49.839
Base-Backbone interact. energy: -0.043
local terms energy: -66.904198
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.225
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: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -95.983884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.983884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.983884 (E_RNA)
where:
Base-Base interactions energy: -36.458
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.168
local terms energy: -59.358071
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.849
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: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -84.138832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138832 (E_RNA)
where:
Base-Base interactions energy: -28.383
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.019
local terms energy: -55.736839
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -84.523486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.523486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.523486 (E_RNA)
where:
Base-Base interactions energy: -34.860
where: short stacking energy: -34.552
Base-Backbone interact. energy: -0.679
local terms energy: -48.984702
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -83.497089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497089 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.095
local terms energy: -49.199769
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -64.840326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.840326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.840326 (E_RNA)
where:
Base-Base interactions energy: -14.087
where: short stacking energy: -14.087
Base-Backbone interact. energy: -0.460
local terms energy: -50.293649
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -6.597
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -208.974978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974978 (E_RNA)
where:
Base-Base interactions energy: -134.047
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.103
local terms energy: -74.824887
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -203.882951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.882951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.882951 (E_RNA)
where:
Base-Base interactions energy: -133.454
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.268
local terms energy: -70.160334
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -13.183
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: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -201.628468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.628468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.628468 (E_RNA)
where:
Base-Base interactions energy: -126.784
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.013
local terms energy: -74.831231
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -179.191788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.191788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.191788 (E_RNA)
where:
Base-Base interactions energy: -110.076
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.011
local terms energy: -69.104472
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.920
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: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -172.301848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.301848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.301848 (E_RNA)
where:
Base-Base interactions energy: -107.003
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.002
local terms energy: -65.296720
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -13.459
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: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -94.658567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.658567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.658567 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -34.526
Base-Backbone interact. energy: 0.685
local terms energy: -60.817701
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -8.831
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: 27
Temperature: 1.200000
Total energy: -89.843906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.843906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.843906 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -25.364
Base-Backbone interact. energy: -0.062
local terms energy: -53.760925
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -80.571472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571472 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.875
local terms energy: -48.230257
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -77.401683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.401683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.401683 (E_RNA)
where:
Base-Base interactions energy: -24.173
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.106
local terms energy: -53.122055
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -75.384650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.384650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.384650 (E_RNA)
where:
Base-Base interactions energy: -28.092
where: short stacking energy: -10.986
Base-Backbone interact. energy: 0.146
local terms energy: -47.438471
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -223.090047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090047 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.723
local terms energy: -80.209003
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -211.237614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.237614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.237614 (E_RNA)
where:
Base-Base interactions energy: -136.522
where: short stacking energy: -68.958
Base-Backbone interact. energy: -0.010
local terms energy: -74.705870
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -20.561
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: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -180.351957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.351957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.351957 (E_RNA)
where:
Base-Base interactions energy: -109.083
where: short stacking energy: -55.890
Base-Backbone interact. energy: -1.122
local terms energy: -70.147568
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.250
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: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -167.975373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.975373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.975373 (E_RNA)
where:
Base-Base interactions energy: -101.795
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.399
local terms energy: -65.781157
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -11.568
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: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -159.829500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.829500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.829500 (E_RNA)
where:
Base-Base interactions energy: -88.504
where: short stacking energy: -48.963
Base-Backbone interact. energy: 2.723
local terms energy: -74.048490
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -90.142327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142327 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -27.772
Base-Backbone interact. energy: -0.171
local terms energy: -55.374865
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -92.477956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.477956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.477956 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -33.039
Base-Backbone interact. energy: 0.163
local terms energy: -51.314287
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -121.618685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.618685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.618685 (E_RNA)
where:
Base-Base interactions energy: -61.703
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.384
local terms energy: -59.530910
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -8.993
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -78.307969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.307969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.307969 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.166
local terms energy: -46.598412
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -74.461191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.461191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.461191 (E_RNA)
where:
Base-Base interactions energy: -23.451
where: short stacking energy: -19.751
Base-Backbone interact. energy: -0.110
local terms energy: -50.900863
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -225.893867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893867 (E_RNA)
where:
Base-Base interactions energy: -141.408
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.007
local terms energy: -84.479286
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -209.612630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.612630 (E_RNA)
where:
Base-Base interactions energy: -140.624
where: short stacking energy: -65.223
Base-Backbone interact. energy: 0.090
local terms energy: -69.078808
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -7.170
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -173.221017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.221017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.221017 (E_RNA)
where:
Base-Base interactions energy: -102.678
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.406
local terms energy: -70.137680
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.548
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -171.222819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.222819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.222819 (E_RNA)
where:
Base-Base interactions energy: -103.539
where: short stacking energy: -49.355
Base-Backbone interact. energy: -0.117
local terms energy: -67.566996
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -144.778732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.778732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.778732 (E_RNA)
where:
Base-Base interactions energy: -88.431
where: short stacking energy: -45.382
Base-Backbone interact. energy: 0.138
local terms energy: -56.485922
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -84.215904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215904 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.251
local terms energy: -49.450523
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -103.609181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.609181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.609181 (E_RNA)
where:
Base-Base interactions energy: -51.659
where: short stacking energy: -27.682
Base-Backbone interact. energy: -0.840
local terms energy: -51.109493
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -78.212118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212118 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -22.321
Base-Backbone interact. energy: -0.172
local terms energy: -51.242962
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -121.191213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.191213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.191213 (E_RNA)
where:
Base-Base interactions energy: -61.878
where: short stacking energy: -33.911
Base-Backbone interact. energy: -0.752
local terms energy: -58.561843
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.842569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.842569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.842569 (E_RNA)
where:
Base-Base interactions energy: -31.835
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.101
local terms energy: -49.906418
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -224.140498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140498 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.711
local terms energy: -79.718556
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -221.479827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479827 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -64.883
Base-Backbone interact. energy: -0.020
local terms energy: -83.952160
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -193.563668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563668 (E_RNA)
where:
Base-Base interactions energy: -119.253
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.002
local terms energy: -74.308216
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -173.359215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.359215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.359215 (E_RNA)
where:
Base-Base interactions energy: -101.449
where: short stacking energy: -51.445
Base-Backbone interact. energy: -0.012
local terms energy: -71.898567
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -150.053564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.053564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.053564 (E_RNA)
where:
Base-Base interactions energy: -85.928
where: short stacking energy: -40.957
Base-Backbone interact. energy: -0.108
local terms energy: -64.017802
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -10.757
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: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -93.207260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207260 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -33.126
Base-Backbone interact. energy: -0.019
local terms energy: -60.062139
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -92.361649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361649 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.645
local terms energy: -56.910569
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -80.274537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.274537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.274537 (E_RNA)
where:
Base-Base interactions energy: -43.045
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.175
local terms energy: -37.053990
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: 2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -121.716573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.716573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.716573 (E_RNA)
where:
Base-Base interactions energy: -81.387
where: short stacking energy: -33.026
Base-Backbone interact. energy: -0.162
local terms energy: -40.167978
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -5.490
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -74.971703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.971703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.971703 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.107
local terms energy: -44.465129
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -210.962019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.962019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.962019 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.048
local terms energy: -78.568466
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -10.560
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: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -201.039304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.039304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.039304 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.010
local terms energy: -71.486129
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -13.972
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: 31
Temperature: 1.000000
Total energy: -212.234433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.234433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.234433 (E_RNA)
where:
Base-Base interactions energy: -135.006
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.028
local terms energy: -77.200576
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -155.782679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.782679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.782679 (E_RNA)
where:
Base-Base interactions energy: -88.609
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.039
local terms energy: -67.135236
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -10.953
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: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -171.158349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158349 (E_RNA)
where:
Base-Base interactions energy: -103.278
where: short stacking energy: -52.731
Base-Backbone interact. energy: -0.017
local terms energy: -67.863830
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -12.600
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -103.728153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.728153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.728153 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -32.868
Base-Backbone interact. energy: -0.062
local terms energy: -64.145134
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -87.264570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.264570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.264570 (E_RNA)
where:
Base-Base interactions energy: -29.374
where: short stacking energy: -26.409
Base-Backbone interact. energy: -0.563
local terms energy: -57.327528
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -79.620787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.620787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.620787 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.132
local terms energy: -47.165697
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -72.289816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.289816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.289816 (E_RNA)
where:
Base-Base interactions energy: -25.862
where: short stacking energy: -21.186
Base-Backbone interact. energy: 0.541
local terms energy: -46.968402
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -98.457610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.457610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.457610 (E_RNA)
where:
Base-Base interactions energy: -47.972
where: short stacking energy: -27.774
Base-Backbone interact. energy: 0.412
local terms energy: -50.897526
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -217.105710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.105710 (E_RNA)
where:
Base-Base interactions energy: -144.219
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.396
local terms energy: -72.490238
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -199.041174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.041174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.041174 (E_RNA)
where:
Base-Base interactions energy: -123.759
where: short stacking energy: -51.746
Base-Backbone interact. energy: -0.109
local terms energy: -75.173664
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -211.416157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.416157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.416157 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.062
local terms energy: -80.701978
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -181.255076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.255076 (E_RNA)
where:
Base-Base interactions energy: -114.562
where: short stacking energy: -55.205
Base-Backbone interact. energy: 0.969
local terms energy: -67.662009
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -178.477150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477150 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.006
local terms energy: -72.973519
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.049
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -95.295436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.295436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.295436 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -37.499
Base-Backbone interact. energy: 0.095
local terms energy: -57.891839
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -115.305310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.305310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.305310 (E_RNA)
where:
Base-Base interactions energy: -61.819
where: short stacking energy: -40.293
Base-Backbone interact. energy: 0.036
local terms energy: -53.521706
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -7.767
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: 32
Temperature: 1.250000
Total energy: -90.886222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.886222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.886222 (E_RNA)
where:
Base-Base interactions energy: -41.152
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.044
local terms energy: -49.690349
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -7.643
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: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -66.908978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.908978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.908978 (E_RNA)
where:
Base-Base interactions energy: -20.731
where: short stacking energy: -17.295
Base-Backbone interact. energy: -0.108
local terms energy: -46.069734
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -77.648173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.648173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.648173 (E_RNA)
where:
Base-Base interactions energy: -25.120
where: short stacking energy: -25.120
Base-Backbone interact. energy: 0.148
local terms energy: -52.675620
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -219.322028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.322028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.322028 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.015
local terms energy: -81.157501
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -21.292
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -214.769511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.769511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.769511 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.516
local terms energy: -80.125602
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.310
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: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -198.549082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.549082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.549082 (E_RNA)
where:
Base-Base interactions energy: -124.623
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.060
local terms energy: -73.866371
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -21.687
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -191.847724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847724 (E_RNA)
where:
Base-Base interactions energy: -116.271
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.002
local terms energy: -75.573910
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -184.943661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.943661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.943661 (E_RNA)
where:
Base-Base interactions energy: -112.526
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.000
local terms energy: -72.417298
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.892
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -133.261740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.261740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.261740 (E_RNA)
where:
Base-Base interactions energy: -74.520
where: short stacking energy: -26.213
Base-Backbone interact. energy: 0.146
local terms energy: -58.887626
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -89.345155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.345155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.345155 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -36.225
Base-Backbone interact. energy: -0.234
local terms energy: -51.220883
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -82.010802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.010802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.010802 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -26.486
Base-Backbone interact. energy: -0.253
local terms energy: -53.157958
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -77.672321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672321 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -23.527
Base-Backbone interact. energy: 1.236
local terms energy: -55.036980
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -70.195652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.195652 (E_RNA)
where:
Base-Base interactions energy: -20.372
where: short stacking energy: -15.298
Base-Backbone interact. energy: -0.237
local terms energy: -49.587196
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -219.715654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.715654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.715654 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.147
local terms energy: -80.552103
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -11.372
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: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -209.312230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.312230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.312230 (E_RNA)
where:
Base-Base interactions energy: -134.000
where: short stacking energy: -62.648
Base-Backbone interact. energy: -0.088
local terms energy: -75.224989
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -193.814864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.814864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.814864 (E_RNA)
where:
Base-Base interactions energy: -117.004
where: short stacking energy: -59.127
Base-Backbone interact. energy: -0.039
local terms energy: -76.771946
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -19.453
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -179.866393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.866393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.866393 (E_RNA)
where:
Base-Base interactions energy: -107.250
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.013
local terms energy: -72.603300
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -179.017998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.017998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017998 (E_RNA)
where:
Base-Base interactions energy: -114.186
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.045
local terms energy: -64.786819
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -14.549
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: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -126.492386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.492386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.492386 (E_RNA)
where:
Base-Base interactions energy: -64.813
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.250
local terms energy: -61.430123
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -9.865
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: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -88.220946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.220946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.220946 (E_RNA)
where:
Base-Base interactions energy: -39.388
where: short stacking energy: -28.208
Base-Backbone interact. energy: -0.818
local terms energy: -48.014907
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -81.609534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.609534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.609534 (E_RNA)
where:
Base-Base interactions energy: -29.300
where: short stacking energy: -29.900
Base-Backbone interact. energy: 0.360
local terms energy: -52.669470
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -83.139629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.139629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.139629 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -20.689
Base-Backbone interact. energy: -0.068
local terms energy: -46.368147
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -75.514362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514362 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -21.089
Base-Backbone interact. energy: -0.027
local terms energy: -48.205742
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -217.485199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.485199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.485199 (E_RNA)
where:
Base-Base interactions energy: -137.701
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.723
local terms energy: -79.061586
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -190.262726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.262726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.262726 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -57.687
Base-Backbone interact. energy: -1.049
local terms energy: -68.201687
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -15.382
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -208.073928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.073928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.073928 (E_RNA)
where:
Base-Base interactions energy: -134.481
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.080
local terms energy: -73.513586
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.765
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -180.677624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677624 (E_RNA)
where:
Base-Base interactions energy: -111.475
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.454
local terms energy: -68.749049
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -8.885
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: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -180.280416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.280416 (E_RNA)
where:
Base-Base interactions energy: -114.077
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.376
local terms energy: -65.827767
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -12.154
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: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -122.669923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.669923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.669923 (E_RNA)
where:
Base-Base interactions energy: -67.548
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.218
local terms energy: -54.903935
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.928
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: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -94.654798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.654798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.654798 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.092
local terms energy: -56.327018
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -87.932789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932789 (E_RNA)
where:
Base-Base interactions energy: -37.163
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.918
local terms energy: -49.851781
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -5.260
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: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -75.103182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.103182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.103182 (E_RNA)
where:
Base-Base interactions energy: -19.032
where: short stacking energy: -17.659
Base-Backbone interact. energy: -0.219
local terms energy: -55.852612
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -0.344
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: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -71.626894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.626894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.626894 (E_RNA)
where:
Base-Base interactions energy: -21.792
where: short stacking energy: -19.332
Base-Backbone interact. energy: -0.040
local terms energy: -49.794377
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -188.729562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.729562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.729562 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -49.397
Base-Backbone interact. energy: -0.098
local terms energy: -75.739695
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -208.105023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105023 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.027
local terms energy: -75.173039
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -198.820708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820708 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.213
local terms energy: -65.839198
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -178.835648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.835648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.835648 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -55.731
Base-Backbone interact. energy: -0.124
local terms energy: -59.668711
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -4.354
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: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -181.202828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.202828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.202828 (E_RNA)
where:
Base-Base interactions energy: -110.840
where: short stacking energy: -59.686
Base-Backbone interact. energy: 1.281
local terms energy: -71.643716
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -108.147960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.147960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.147960 (E_RNA)
where:
Base-Base interactions energy: -54.962
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.095
local terms energy: -53.091268
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -82.840410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.840410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.840410 (E_RNA)
where:
Base-Base interactions energy: -36.175
where: short stacking energy: -20.472
Base-Backbone interact. energy: -0.172
local terms energy: -46.492839
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -78.174962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.174962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.174962 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -26.858
Base-Backbone interact. energy: 1.226
local terms energy: -50.437085
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -92.430495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430495 (E_RNA)
where:
Base-Base interactions energy: -38.273
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.181
local terms energy: -53.976744
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -6.238
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: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -80.288405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.288405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.288405 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -30.632
Base-Backbone interact. energy: -0.282
local terms energy: -46.971730
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -189.538189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.538189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.538189 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.039
local terms energy: -74.839851
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -213.174018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174018 (E_RNA)
where:
Base-Base interactions energy: -138.550
where: short stacking energy: -63.813
Base-Backbone interact. energy: -0.355
local terms energy: -74.268331
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -8.158
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: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -198.439358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.439358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.439358 (E_RNA)
where:
Base-Base interactions energy: -127.394
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.109
local terms energy: -70.936587
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -19.241
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: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -182.103689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.103689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103689 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.055
local terms energy: -68.985465
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -173.910196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.910196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.910196 (E_RNA)
where:
Base-Base interactions energy: -109.422
where: short stacking energy: -54.224
Base-Backbone interact. energy: 1.497
local terms energy: -65.985527
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -103.237322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.237322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.237322 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.044
local terms energy: -63.336747
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -9.666
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -83.283018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.283018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.283018 (E_RNA)
where:
Base-Base interactions energy: -27.938
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.910
local terms energy: -54.435378
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -87.815707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815707 (E_RNA)
where:
Base-Base interactions energy: -47.319
where: short stacking energy: -25.640
Base-Backbone interact. energy: 0.340
local terms energy: -40.837324
where:
bonds (distance) C4'-P energy: -7.669
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.956
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: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -72.292862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.292862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.292862 (E_RNA)
where:
Base-Base interactions energy: -23.948
where: short stacking energy: -22.954
Base-Backbone interact. energy: -1.253
local terms energy: -47.091204
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -74.644851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.644851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.644851 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -12.164
Base-Backbone interact. energy: -2.096
local terms energy: -47.539790
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -0.675
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: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -217.780775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.780775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.780775 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.065
local terms energy: -77.382769
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.120
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: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -188.106386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.106386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.106386 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -59.060
Base-Backbone interact. energy: 0.859
local terms energy: -66.836066
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -12.950
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -185.665180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.665180 (E_RNA)
where:
Base-Base interactions energy: -109.747
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.093
local terms energy: -75.824567
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -12.723
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: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -183.051608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.051608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.051608 (E_RNA)
where:
Base-Base interactions energy: -112.476
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.743
local terms energy: -69.832700
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -154.651428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.651428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.651428 (E_RNA)
where:
Base-Base interactions energy: -94.330
where: short stacking energy: -45.858
Base-Backbone interact. energy: -0.075
local terms energy: -60.245974
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -86.501167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.501167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.501167 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.017
local terms energy: -58.570532
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -5.897
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -84.325393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325393 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.113
local terms energy: -44.531135
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -93.742569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.742569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.742569 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -33.147
Base-Backbone interact. energy: 2.865
local terms energy: -57.252601
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.225
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -71.315545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.315545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.315545 (E_RNA)
where:
Base-Base interactions energy: -24.642
where: short stacking energy: -16.930
Base-Backbone interact. energy: -0.971
local terms energy: -45.702544
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 2.484
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: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -70.706576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.706576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.706576 (E_RNA)
where:
Base-Base interactions energy: -33.318
where: short stacking energy: -28.112
Base-Backbone interact. energy: 0.925
local terms energy: -38.314191
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: 3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -224.268521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.268521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.268521 (E_RNA)
where:
Base-Base interactions energy: -146.321
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.052
local terms energy: -77.895020
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -20.636
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: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -192.698004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.698004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.698004 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.099
local terms energy: -72.343875
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -14.771
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: 39
Temperature: 1.000000
Total energy: -186.816989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.816989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.816989 (E_RNA)
where:
Base-Base interactions energy: -117.553
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.008
local terms energy: -69.255399
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.328
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -178.117871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.117871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.117871 (E_RNA)
where:
Base-Base interactions energy: -107.298
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.593
local terms energy: -70.226311
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -195.095043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.095043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095043 (E_RNA)
where:
Base-Base interactions energy: -124.243
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.285
local terms energy: -70.567821
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -17.651
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: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -86.287645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.287645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.287645 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -22.094
Base-Backbone interact. energy: -0.237
local terms energy: -44.878097
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: 4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -88.244470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.244470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.244470 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.231
local terms energy: -55.923324
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -6.901
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -101.382118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.382118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.382118 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.009
local terms energy: -54.832102
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -80.988398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.988398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.988398 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.302
local terms energy: -52.266937
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -69.224241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.224241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.224241 (E_RNA)
where:
Base-Base interactions energy: -23.100
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.171
local terms energy: -45.953283
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -219.212512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212512 (E_RNA)
where:
Base-Base interactions energy: -140.293
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.002
local terms energy: -78.916890
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -21.134
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: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -195.073504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.073504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.073504 (E_RNA)
where:
Base-Base interactions energy: -123.108
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.013
local terms energy: -71.953092
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -183.943791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.943791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.943791 (E_RNA)
where:
Base-Base interactions energy: -109.706
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.087
local terms energy: -74.150807
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -190.167160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.167160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.167160 (E_RNA)
where:
Base-Base interactions energy: -115.856
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.079
local terms energy: -74.232291
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -186.855445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855445 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.153
local terms energy: -65.528255
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -90.615403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.615403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.615403 (E_RNA)
where:
Base-Base interactions energy: -38.052
where: short stacking energy: -31.391
Base-Backbone interact. energy: 0.195
local terms energy: -52.758713
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -1.671
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -85.008383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.008383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.008383 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.771
local terms energy: -49.245005
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -76.919940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919940 (E_RNA)
where:
Base-Base interactions energy: -22.502
where: short stacking energy: -19.621
Base-Backbone interact. energy: -0.886
local terms energy: -53.532307
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: 1.387
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: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -80.954840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.954840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.954840 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -29.161
Base-Backbone interact. energy: 0.770
local terms energy: -43.481171
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -7.144
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: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.286131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.286131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.286131 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -17.782
Base-Backbone interact. energy: -0.231
local terms energy: -47.697048
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -217.449984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.449984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449984 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.009
local terms energy: -75.933834
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -9.849
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -192.077459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077459 (E_RNA)
where:
Base-Base interactions energy: -120.207
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.003
local terms energy: -71.867679
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -180.634006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.634006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.634006 (E_RNA)
where:
Base-Base interactions energy: -107.253
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.069
local terms energy: -73.311905
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -208.193021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.193021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.193021 (E_RNA)
where:
Base-Base interactions energy: -128.834
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.013
local terms energy: -79.346029
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -176.217237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.217237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.217237 (E_RNA)
where:
Base-Base interactions energy: -103.917
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.052
local terms energy: -72.248586
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -95.209597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.209597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.209597 (E_RNA)
where:
Base-Base interactions energy: -37.893
where: short stacking energy: -37.893
Base-Backbone interact. energy: -0.170
local terms energy: -57.146691
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -86.156429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.156429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.156429 (E_RNA)
where:
Base-Base interactions energy: -30.712
where: short stacking energy: -30.712
Base-Backbone interact. energy: 0.858
local terms energy: -56.302680
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -80.661973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.661973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.661973 (E_RNA)
where:
Base-Base interactions energy: -35.634
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.272
local terms energy: -44.755340
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -78.781051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.781051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.781051 (E_RNA)
where:
Base-Base interactions energy: -16.677
where: short stacking energy: -16.677
Base-Backbone interact. energy: -0.151
local terms energy: -61.953015
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -80.827206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.827206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.827206 (E_RNA)
where:
Base-Base interactions energy: -48.078
where: short stacking energy: -17.514
Base-Backbone interact. energy: 0.410
local terms energy: -33.159066
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -7.522
flat angles P-C4'-P energy: -0.750
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -213.265868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.265868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.265868 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.022
local terms energy: -79.907405
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -195.005019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.005019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.005019 (E_RNA)
where:
Base-Base interactions energy: -121.661
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.008
local terms energy: -73.336235
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -219.358903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.358903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.358903 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.008
local terms energy: -81.172736
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -12.510
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -176.648576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.648576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.648576 (E_RNA)
where:
Base-Base interactions energy: -112.654
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.125
local terms energy: -63.869330
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -175.046747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.046747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.046747 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.021
local terms energy: -69.727948
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -15.521
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: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -109.719515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.719515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.719515 (E_RNA)
where:
Base-Base interactions energy: -52.585
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.608
local terms energy: -56.525893
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -87.022155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022155 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -21.312
Base-Backbone interact. energy: -0.266
local terms energy: -51.351594
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -75.461322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.461322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.461322 (E_RNA)
where:
Base-Base interactions energy: -28.663
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.422
local terms energy: -46.376943
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -75.403517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.403517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.403517 (E_RNA)
where:
Base-Base interactions energy: -26.788
where: short stacking energy: -26.788
Base-Backbone interact. energy: 0.025
local terms energy: -48.641442
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -1.896
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -72.287541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.287541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.287541 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -20.180
Base-Backbone interact. energy: 0.087
local terms energy: -43.025008
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -215.967876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.967876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.967876 (E_RNA)
where:
Base-Base interactions energy: -136.135
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.052
local terms energy: -79.781276
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -214.220984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220984 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.311
local terms energy: -76.662262
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -193.758613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.758613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.758613 (E_RNA)
where:
Base-Base interactions energy: -121.269
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.024
local terms energy: -72.465020
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -181.209392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.209392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.209392 (E_RNA)
where:
Base-Base interactions energy: -111.975
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.042
local terms energy: -69.192065
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -17.008
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -181.234132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.234132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.234132 (E_RNA)
where:
Base-Base interactions energy: -112.930
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.013
local terms energy: -68.291289
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -15.319
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: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -98.706930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.706930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.706930 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -45.175
Base-Backbone interact. energy: -0.033
local terms energy: -53.498448
where:
bonds (distance) C4'-P energy: -3.563
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.890
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -83.514925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514925 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.018
local terms energy: -54.340783
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -83.675082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.675082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.675082 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.067
local terms energy: -54.357512
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -78.271486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.271486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.271486 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -24.139
Base-Backbone interact. energy: -0.161
local terms energy: -45.224506
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -76.635047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.635047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.635047 (E_RNA)
where:
Base-Base interactions energy: -27.078
where: short stacking energy: -21.344
Base-Backbone interact. energy: -0.145
local terms energy: -49.412080
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -221.610167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.610167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.610167 (E_RNA)
where:
Base-Base interactions energy: -144.019
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.288
local terms energy: -77.303161
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.543
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -215.337785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.337785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.337785 (E_RNA)
where:
Base-Base interactions energy: -135.708
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.006
local terms energy: -79.623900
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -23.069
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: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -188.787729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.787729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787729 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.100
local terms energy: -71.632240
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -176.831242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831242 (E_RNA)
where:
Base-Base interactions energy: -112.066
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.160
local terms energy: -64.605690
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -176.912396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912396 (E_RNA)
where:
Base-Base interactions energy: -112.318
where: short stacking energy: -55.382
Base-Backbone interact. energy: -0.030
local terms energy: -64.564531
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -108.778797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.778797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.778797 (E_RNA)
where:
Base-Base interactions energy: -51.899
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.129
local terms energy: -56.751022
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -105.908711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.908711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.908711 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.101
local terms energy: -55.776108
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -88.720029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.720029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.720029 (E_RNA)
where:
Base-Base interactions energy: -39.513
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.126
local terms energy: -49.081485
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -74.598032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.598032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.598032 (E_RNA)
where:
Base-Base interactions energy: -32.598
where: short stacking energy: -23.789
Base-Backbone interact. energy: -0.094
local terms energy: -41.905264
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -0.360
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: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -71.389281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.389281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.389281 (E_RNA)
where:
Base-Base interactions energy: -13.520
where: short stacking energy: -12.233
Base-Backbone interact. energy: -1.453
local terms energy: -56.416135
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -4.683
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: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -223.262308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.262308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.262308 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -73.286
Base-Backbone interact. energy: -0.063
local terms energy: -74.553545
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -201.494458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.494458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.494458 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -60.643
Base-Backbone interact. energy: 0.102
local terms energy: -76.831261
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -20.146
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: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -192.197424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.197424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.197424 (E_RNA)
where:
Base-Base interactions energy: -120.162
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.001
local terms energy: -72.034836
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.186
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: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -191.371560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.371560 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.073
local terms energy: -71.652161
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -16.252
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -172.490813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490813 (E_RNA)
where:
Base-Base interactions energy: -106.841
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.007
local terms energy: -65.642976
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -87.421575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.421575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.421575 (E_RNA)
where:
Base-Base interactions energy: -27.361
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.308
local terms energy: -59.752183
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -83.218094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218094 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -20.085
Base-Backbone interact. energy: -1.397
local terms energy: -47.775640
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -86.627223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.627223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.627223 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.061
local terms energy: -55.450370
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -76.978567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978567 (E_RNA)
where:
Base-Base interactions energy: -26.054
where: short stacking energy: -22.010
Base-Backbone interact. energy: -0.269
local terms energy: -50.655618
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: 1.571
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: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -88.811216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.811216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.811216 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.027
local terms energy: -49.883384
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -211.007466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007466 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.017
local terms energy: -80.006513
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -205.530793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530793 (E_RNA)
where:
Base-Base interactions energy: -131.074
where: short stacking energy: -58.506
Base-Backbone interact. energy: -1.093
local terms energy: -73.363508
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.273
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -192.077320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077320 (E_RNA)
where:
Base-Base interactions energy: -118.693
where: short stacking energy: -64.415
Base-Backbone interact. energy: 0.688
local terms energy: -74.072870
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -11.250
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: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -179.638663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.638663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.638663 (E_RNA)
where:
Base-Base interactions energy: -105.282
where: short stacking energy: -45.851
Base-Backbone interact. energy: 0.436
local terms energy: -74.792276
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -168.386496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.386496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.386496 (E_RNA)
where:
Base-Base interactions energy: -94.508
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.430
local terms energy: -73.448682
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -11.834
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: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -92.006339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.006339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.006339 (E_RNA)
where:
Base-Base interactions energy: -29.575
where: short stacking energy: -22.611
Base-Backbone interact. energy: -0.398
local terms energy: -62.032760
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -94.764634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.764634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.764634 (E_RNA)
where:
Base-Base interactions energy: -35.563
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.180
local terms energy: -59.021945
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -83.627578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.627578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.627578 (E_RNA)
where:
Base-Base interactions energy: -28.391
where: short stacking energy: -21.224
Base-Backbone interact. energy: -0.150
local terms energy: -55.086400
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.798676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798676 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -20.412
Base-Backbone interact. energy: -0.128
local terms energy: -43.003863
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -2.032
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -87.419834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.419834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.419834 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.635
local terms energy: -46.213251
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -0.815
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: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -212.905744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.905744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.905744 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.005
local terms energy: -74.101073
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -199.984009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.984009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.984009 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.514
local terms energy: -75.673706
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -211.803858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.803858 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.005
local terms energy: -74.735906
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.247
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: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -173.043556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.043556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.043556 (E_RNA)
where:
Base-Base interactions energy: -106.184
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.007
local terms energy: -66.852206
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -3.091
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -182.205694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.205694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.205694 (E_RNA)
where:
Base-Base interactions energy: -115.711
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.039
local terms energy: -66.455349
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -104.020397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.020397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.020397 (E_RNA)
where:
Base-Base interactions energy: -44.805
where: short stacking energy: -44.805
Base-Backbone interact. energy: -0.042
local terms energy: -59.173088
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -106.448240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.448240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.448240 (E_RNA)
where:
Base-Base interactions energy: -55.426
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.162
local terms energy: -50.860264
where:
bonds (distance) C4'-P energy: -6.278
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -82.505602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.505602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.505602 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -18.927
Base-Backbone interact. energy: -0.083
local terms energy: -54.364256
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -83.669308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669308 (E_RNA)
where:
Base-Base interactions energy: -33.901
where: short stacking energy: -33.901
Base-Backbone interact. energy: -0.304
local terms energy: -49.464579
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -74.281146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.281146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.281146 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -32.764
Base-Backbone interact. energy: 1.102
local terms energy: -42.619333
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -202.043697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.043697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.043697 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.004
local terms energy: -74.247549
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -209.725151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.725151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.725151 (E_RNA)
where:
Base-Base interactions energy: -132.628
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.014
local terms energy: -77.083201
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -18.716
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: 48
Temperature: 1.000000
Total energy: -178.608252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.608252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.608252 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.080
local terms energy: -75.372739
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -13.148
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: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -206.248950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.248950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248950 (E_RNA)
where:
Base-Base interactions energy: -134.946
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.005
local terms energy: -71.297778
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.157
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -173.108591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.108591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.108591 (E_RNA)
where:
Base-Base interactions energy: -107.344
where: short stacking energy: -55.552
Base-Backbone interact. energy: -0.001
local terms energy: -65.764062
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -19.101
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: 48
Temperature: 1.150000
Total energy: -102.720508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.720508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.720508 (E_RNA)
where:
Base-Base interactions energy: -45.830
where: short stacking energy: -29.843
Base-Backbone interact. energy: -0.102
local terms energy: -56.788265
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -93.856469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.856469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.856469 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -24.781
Base-Backbone interact. energy: 3.472
local terms energy: -57.476607
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -112.107206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.107206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.107206 (E_RNA)
where:
Base-Base interactions energy: -58.946
where: short stacking energy: -23.505
Base-Backbone interact. energy: -0.283
local terms energy: -52.878238
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -75.688106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.688106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.688106 (E_RNA)
where:
Base-Base interactions energy: -27.048
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.317
local terms energy: -48.323247
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -70.491718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.491718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.491718 (E_RNA)
where:
Base-Base interactions energy: -27.014
where: short stacking energy: -21.170
Base-Backbone interact. energy: -0.128
local terms energy: -43.349917
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -206.703155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.703155 (E_RNA)
where:
Base-Base interactions energy: -130.231
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.002
local terms energy: -76.470109
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -183.979248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979248 (E_RNA)
where:
Base-Base interactions energy: -111.290
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.012
local terms energy: -72.676774
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -201.215890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.215890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.215890 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.512
local terms energy: -75.480356
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -203.669394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.669394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.669394 (E_RNA)
where:
Base-Base interactions energy: -130.622
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.003
local terms energy: -73.044522
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -19.043
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: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -173.832769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.832769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.832769 (E_RNA)
where:
Base-Base interactions energy: -99.684
where: short stacking energy: -44.559
Base-Backbone interact. energy: -0.031
local terms energy: -74.117291
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -98.650507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.650507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.650507 (E_RNA)
where:
Base-Base interactions energy: -43.637
where: short stacking energy: -42.460
Base-Backbone interact. energy: 0.377
local terms energy: -55.390440
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -88.948022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.948022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.948022 (E_RNA)
where:
Base-Base interactions energy: -40.257
where: short stacking energy: -32.742
Base-Backbone interact. energy: 0.905
local terms energy: -49.595722
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -105.986958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.986958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.986958 (E_RNA)
where:
Base-Base interactions energy: -48.617
where: short stacking energy: -20.840
Base-Backbone interact. energy: -0.584
local terms energy: -56.785924
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -67.292865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.292865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.292865 (E_RNA)
where:
Base-Base interactions energy: -24.156
where: short stacking energy: -24.133
Base-Backbone interact. energy: -1.394
local terms energy: -41.743389
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -82.286609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286609 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.412
local terms energy: -41.346048
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -192.717007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717007 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.033
local terms energy: -71.648840
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -194.137872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.137872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.137872 (E_RNA)
where:
Base-Base interactions energy: -116.623
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.002
local terms energy: -77.513390
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -19.764
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: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -203.268082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.268082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.268082 (E_RNA)
where:
Base-Base interactions energy: -128.853
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.013
local terms energy: -74.402114
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -196.572054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.572054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.572054 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -54.732
Base-Backbone interact. energy: -0.015
local terms energy: -72.478991
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -11.286
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: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -180.257066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.257066 (E_RNA)
where:
Base-Base interactions energy: -108.125
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.003
local terms energy: -72.129260
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -117.169816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169816 (E_RNA)
where:
Base-Base interactions energy: -58.503
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.438
local terms energy: -58.228519
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -90.731528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.731528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.731528 (E_RNA)
where:
Base-Base interactions energy: -33.024
where: short stacking energy: -33.121
Base-Backbone interact. energy: -0.036
local terms energy: -57.671289
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -77.597397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.597397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.597397 (E_RNA)
where:
Base-Base interactions energy: -27.669
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.154
local terms energy: -49.775100
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -70.310715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.310715 (E_RNA)
where:
Base-Base interactions energy: -13.179
where: short stacking energy: -13.079
Base-Backbone interact. energy: -0.287
local terms energy: -56.844632
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.622
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: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.043122 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.208
local terms energy: -47.312605
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -193.082802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.082802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.082802 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -61.540
Base-Backbone interact. energy: 0.704
local terms energy: -71.541195
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.668
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: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -212.898172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898172 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -59.104
Base-Backbone interact. energy: -2.708
local terms energy: -71.066848
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -11.752
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: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -186.334153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.334153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.334153 (E_RNA)
where:
Base-Base interactions energy: -114.314
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.003
local terms energy: -72.016413
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -188.680382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.680382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.680382 (E_RNA)
where:
Base-Base interactions energy: -120.824
where: short stacking energy: -56.989
Base-Backbone interact. energy: -0.744
local terms energy: -67.111842
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -164.700659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.700659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.700659 (E_RNA)
where:
Base-Base interactions energy: -96.210
where: short stacking energy: -44.956
Base-Backbone interact. energy: 0.189
local terms energy: -68.680574
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -98.691269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.691269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.691269 (E_RNA)
where:
Base-Base interactions energy: -39.570
where: short stacking energy: -33.073
Base-Backbone interact. energy: 0.644
local terms energy: -59.765421
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -93.053124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.053124 (E_RNA)
where:
Base-Base interactions energy: -46.708
where: short stacking energy: -36.834
Base-Backbone interact. energy: 1.327
local terms energy: -47.671992
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -80.568639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.568639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.568639 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.701
local terms energy: -52.698551
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.086969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.086969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.086969 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.116
local terms energy: -54.442888
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -77.472616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.472616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.472616 (E_RNA)
where:
Base-Base interactions energy: -23.299
where: short stacking energy: -23.189
Base-Backbone interact. energy: -0.051
local terms energy: -54.122513
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -215.688408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688408 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.103
local terms energy: -72.580549
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -187.799559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.799559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.799559 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.102
local terms energy: -71.214259
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.041
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: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -184.421925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.421925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.421925 (E_RNA)
where:
Base-Base interactions energy: -114.540
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.093
local terms energy: -69.789794
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -195.171091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.171091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.171091 (E_RNA)
where:
Base-Base interactions energy: -125.717
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.078
local terms energy: -69.376467
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -17.399
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -164.146376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.146376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.146376 (E_RNA)
where:
Base-Base interactions energy: -98.394
where: short stacking energy: -46.721
Base-Backbone interact. energy: 0.548
local terms energy: -66.300721
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -84.501547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501547 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.195
local terms energy: -49.751700
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -92.213336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.213336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.213336 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -22.783
Base-Backbone interact. energy: -0.128
local terms energy: -51.895940
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -84.964708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.964708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.964708 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -32.296
Base-Backbone interact. energy: 0.726
local terms energy: -53.394826
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -79.277003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.277003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.277003 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -8.226
Base-Backbone interact. energy: -0.275
local terms energy: -37.363043
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -73.157391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.157391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.157391 (E_RNA)
where:
Base-Base interactions energy: -21.304
where: short stacking energy: -19.172
Base-Backbone interact. energy: -0.032
local terms energy: -51.821019
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -220.922268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.922268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.922268 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.032
local terms energy: -83.067002
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -196.845844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.845844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.845844 (E_RNA)
where:
Base-Base interactions energy: -122.076
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.003
local terms energy: -74.766907
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -185.057578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.057578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.057578 (E_RNA)
where:
Base-Base interactions energy: -114.998
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.007
local terms energy: -70.052742
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -194.096675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.096675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.096675 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.005
local terms energy: -69.422475
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -21.454
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: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -197.627076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.627076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.627076 (E_RNA)
where:
Base-Base interactions energy: -121.723
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.107
local terms energy: -75.797586
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -84.149357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.149357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.149357 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.393
local terms energy: -44.083214
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -95.555491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555491 (E_RNA)
where:
Base-Base interactions energy: -42.567
where: short stacking energy: -18.775
Base-Backbone interact. energy: 0.438
local terms energy: -53.426025
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -83.455042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.455042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.455042 (E_RNA)
where:
Base-Base interactions energy: -35.564
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.094
local terms energy: -47.796885
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -101.322672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.322672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.322672 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.196
local terms energy: -50.060458
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -73.525554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.525554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.525554 (E_RNA)
where:
Base-Base interactions energy: -22.053
where: short stacking energy: -22.053
Base-Backbone interact. energy: -0.058
local terms energy: -51.415123
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -214.150255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.150255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.150255 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.056
local terms energy: -75.238216
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -18.230
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -200.435095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.435095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.435095 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.020
local terms energy: -74.553073
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -19.163
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -190.395726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.395726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.395726 (E_RNA)
where:
Base-Base interactions energy: -119.579
where: short stacking energy: -59.543
Base-Backbone interact. energy: -0.012
local terms energy: -70.804767
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -16.905
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -184.841760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841760 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.114
local terms energy: -76.630147
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -186.916420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.916420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.916420 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.044
local terms energy: -67.628641
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -9.625
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -86.766246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.766246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.766246 (E_RNA)
where:
Base-Base interactions energy: -41.414
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.022
local terms energy: -45.329694
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -4.393
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -87.985263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985263 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -26.137
Base-Backbone interact. energy: 0.131
local terms energy: -54.330584
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -84.375841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.375841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.375841 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.159
local terms energy: -40.453145
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -78.218913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.218913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.218913 (E_RNA)
where:
Base-Base interactions energy: -19.153
where: short stacking energy: -19.153
Base-Backbone interact. energy: -0.034
local terms energy: -59.032684
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -88.457177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457177 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -34.022
Base-Backbone interact. energy: 0.226
local terms energy: -43.838167
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -6.086
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: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -215.922609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.922609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922609 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -63.756
Base-Backbone interact. energy: 0.524
local terms energy: -80.954372
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -198.324621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.324621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.324621 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.150
local terms energy: -74.765007
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -197.938148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.938148 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.006
local terms energy: -73.511013
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -219.919210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919210 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.022
local terms energy: -82.078003
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -13.724
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: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -182.074353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.074353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.074353 (E_RNA)
where:
Base-Base interactions energy: -109.352
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.002
local terms energy: -72.720405
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -17.540
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -107.556210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.556210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.556210 (E_RNA)
where:
Base-Base interactions energy: -48.818
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.664
local terms energy: -58.074704
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -87.441918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441918 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.087
local terms energy: -51.652660
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -75.948768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948768 (E_RNA)
where:
Base-Base interactions energy: -25.980
where: short stacking energy: -23.325
Base-Backbone interact. energy: -1.100
local terms energy: -48.869099
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -92.694020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.694020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.694020 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -22.544
Base-Backbone interact. energy: -0.062
local terms energy: -57.918624
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -66.205472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.205472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.205472 (E_RNA)
where:
Base-Base interactions energy: -20.294
where: short stacking energy: -19.940
Base-Backbone interact. energy: -0.353
local terms energy: -45.558229
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -210.066162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.066162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.066162 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -72.060
Base-Backbone interact. energy: -0.069
local terms energy: -82.022252
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -22.459
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: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -216.613150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613150 (E_RNA)
where:
Base-Base interactions energy: -141.886
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.075
local terms energy: -74.652106
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -11.473
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: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -214.083232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.083232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.083232 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.314
local terms energy: -78.819854
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -23.542
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -194.275031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.275031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.275031 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.080
local terms energy: -76.795692
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -192.623059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.623059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623059 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.039
local terms energy: -75.054973
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.464
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -136.950109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.950109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.950109 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.618
local terms energy: -54.043339
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -92.098053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.098053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.098053 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.123
local terms energy: -53.061965
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -0.568
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -84.165690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.165690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.165690 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -20.755
Base-Backbone interact. energy: 0.655
local terms energy: -57.778132
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -8.046
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -76.819731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.819731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.819731 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -20.601
Base-Backbone interact. energy: -1.465
local terms energy: -47.775191
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -71.157672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.157672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.157672 (E_RNA)
where:
Base-Base interactions energy: -22.420
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.019
local terms energy: -48.718176
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -204.651071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651071 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -69.251
Base-Backbone interact. energy: -0.005
local terms energy: -79.101531
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.862
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: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -206.894594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.894594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.894594 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.019
local terms energy: -76.617712
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -210.086915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.086915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.086915 (E_RNA)
where:
Base-Base interactions energy: -137.952
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.044
local terms energy: -72.090747
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -23.578
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: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -189.347821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.347821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.347821 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.003
local terms energy: -70.492762
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -191.691560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691560 (E_RNA)
where:
Base-Base interactions energy: -121.741
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.001
local terms energy: -69.950168
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -19.391
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: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -132.723672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.723672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.723672 (E_RNA)
where:
Base-Base interactions energy: -76.164
where: short stacking energy: -37.058
Base-Backbone interact. energy: -0.382
local terms energy: -56.177167
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -91.195813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.195813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.195813 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -30.403
Base-Backbone interact. energy: -0.027
local terms energy: -55.666026
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -86.567729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.567729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.567729 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -22.023
Base-Backbone interact. energy: -0.088
local terms energy: -51.303172
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -76.283539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.283539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.283539 (E_RNA)
where:
Base-Base interactions energy: -26.511
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.162
local terms energy: -49.609792
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -1.454
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: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -72.981842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.981842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.981842 (E_RNA)
where:
Base-Base interactions energy: -29.330
where: short stacking energy: -23.098
Base-Backbone interact. energy: 0.058
local terms energy: -43.709588
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -209.440227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.440227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.440227 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.000
local terms energy: -74.081738
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -14.127
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: 58
Temperature: 0.950000
Total energy: -220.448565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.448565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.448565 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.023
local terms energy: -80.187254
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.925
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: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -210.627032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.627032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.627032 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -65.445
Base-Backbone interact. energy: -0.021
local terms energy: -74.286814
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.687708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.687708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.687708 (E_RNA)
where:
Base-Base interactions energy: -113.651
where: short stacking energy: -58.944
Base-Backbone interact. energy: -0.003
local terms energy: -68.033327
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -139.415131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.415131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.415131 (E_RNA)
where:
Base-Base interactions energy: -82.186
where: short stacking energy: -41.358
Base-Backbone interact. energy: -0.173
local terms energy: -57.055801
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -10.676
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: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -128.881783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.881783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.881783 (E_RNA)
where:
Base-Base interactions energy: -74.017
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.719
local terms energy: -54.145552
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -85.324087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.324087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.324087 (E_RNA)
where:
Base-Base interactions energy: -37.377
where: short stacking energy: -25.740
Base-Backbone interact. energy: 2.696
local terms energy: -50.642984
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -82.483410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483410 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.092
local terms energy: -52.526343
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -3.289
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: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -84.569684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.569684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.569684 (E_RNA)
where:
Base-Base interactions energy: -41.104
where: short stacking energy: -25.005
Base-Backbone interact. energy: -0.300
local terms energy: -43.165481
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -78.843420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843420 (E_RNA)
where:
Base-Base interactions energy: -28.477
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.385
local terms energy: -49.982063
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -195.283807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.283807 (E_RNA)
where:
Base-Base interactions energy: -124.336
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.029
local terms energy: -70.918994
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -213.811680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.811680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.811680 (E_RNA)
where:
Base-Base interactions energy: -135.008
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.598
local terms energy: -78.205884
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -209.077302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.077302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.077302 (E_RNA)
where:
Base-Base interactions energy: -130.708
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.015
local terms energy: -78.354676
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -14.565
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: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -178.008774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.008774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.008774 (E_RNA)
where:
Base-Base interactions energy: -115.191
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.182
local terms energy: -62.636490
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -99.512621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.512621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.512621 (E_RNA)
where:
Base-Base interactions energy: -48.850
where: short stacking energy: -28.912
Base-Backbone interact. energy: -0.212
local terms energy: -50.450781
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -106.825435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.825435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.825435 (E_RNA)
where:
Base-Base interactions energy: -54.141
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.133
local terms energy: -52.551626
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -87.273340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.273340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.273340 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.173
local terms energy: -57.995039
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -75.387438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.387438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.387438 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -13.333
Base-Backbone interact. energy: -0.184
local terms energy: -46.637637
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -80.349247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349247 (E_RNA)
where:
Base-Base interactions energy: -36.709
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.101
local terms energy: -43.539140
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -79.016581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016581 (E_RNA)
where:
Base-Base interactions energy: -26.450
where: short stacking energy: -26.450
Base-Backbone interact. energy: -0.021
local terms energy: -52.545160
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -216.917760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917760 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -65.735
Base-Backbone interact. energy: -0.026
local terms energy: -75.301074
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -201.544944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544944 (E_RNA)
where:
Base-Base interactions energy: -127.524
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.029
local terms energy: -73.992260
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -20.858
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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -199.585257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.585257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.585257 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.013
local terms energy: -76.162154
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -22.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -182.021707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.021707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.021707 (E_RNA)
where:
Base-Base interactions energy: -118.560
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.102
local terms energy: -63.360050
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -146.463501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.463501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.463501 (E_RNA)
where:
Base-Base interactions energy: -77.487
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.071
local terms energy: -68.905671
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -97.763576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.763576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.763576 (E_RNA)
where:
Base-Base interactions energy: -37.917
where: short stacking energy: -35.499
Base-Backbone interact. energy: -0.082
local terms energy: -59.763897
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -81.565662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.565662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.565662 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.113
local terms energy: -46.740190
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.106468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.106468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.106468 (E_RNA)
where:
Base-Base interactions energy: -24.534
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.141
local terms energy: -60.430958
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -88.857374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857374 (E_RNA)
where:
Base-Base interactions energy: -45.334
where: short stacking energy: -23.047
Base-Backbone interact. energy: -1.067
local terms energy: -42.456240
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -11.528
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: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -85.128645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128645 (E_RNA)
where:
Base-Base interactions energy: -33.077
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.086
local terms energy: -51.966359
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -214.104125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.104125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.104125 (E_RNA)
where:
Base-Base interactions energy: -136.165
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.019
local terms energy: -77.920307
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -216.263120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.263120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.263120 (E_RNA)
where:
Base-Base interactions energy: -133.874
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.022
local terms energy: -82.366752
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -10.710
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -189.581305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.581305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.581305 (E_RNA)
where:
Base-Base interactions energy: -116.923
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.057
local terms energy: -72.601562
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -184.927197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.927197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.927197 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -56.373
Base-Backbone interact. energy: 1.036
local terms energy: -74.909495
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -179.309952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.309952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.309952 (E_RNA)
where:
Base-Base interactions energy: -113.946
where: short stacking energy: -53.578
Base-Backbone interact. energy: -0.480
local terms energy: -64.884487
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.676
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: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -92.566546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566546 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.034
local terms energy: -62.302749
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -89.771086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.771086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.771086 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.020
local terms energy: -56.269493
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -9.872
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: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -86.669098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.669098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.669098 (E_RNA)
where:
Base-Base interactions energy: -30.047
where: short stacking energy: -27.190
Base-Backbone interact. energy: -0.064
local terms energy: -56.558563
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -79.512672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512672 (E_RNA)
where:
Base-Base interactions energy: -36.345
where: short stacking energy: -36.345
Base-Backbone interact. energy: -1.335
local terms energy: -41.833390
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -5.210
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -79.802738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802738 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.041
local terms energy: -49.439847
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -209.778594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778594 (E_RNA)
where:
Base-Base interactions energy: -133.304
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.013
local terms energy: -76.461497
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -207.246095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.246095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.246095 (E_RNA)
where:
Base-Base interactions energy: -133.699
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.161
local terms energy: -73.386010
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -17.899
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: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -179.823909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823909 (E_RNA)
where:
Base-Base interactions energy: -103.979
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.027
local terms energy: -75.818264
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -15.516
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: 62
Temperature: 1.050000
Total energy: -180.701000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.701000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.701000 (E_RNA)
where:
Base-Base interactions energy: -108.355
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.093
local terms energy: -72.253134
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -185.989166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.989166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.989166 (E_RNA)
where:
Base-Base interactions energy: -120.992
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.023
local terms energy: -64.973285
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -4.251
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: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -96.947331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.947331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.947331 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.162
local terms energy: -59.560317
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -81.289538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.289538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.289538 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -29.288
Base-Backbone interact. energy: 0.658
local terms energy: -51.112121
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -83.040708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040708 (E_RNA)
where:
Base-Base interactions energy: -29.357
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.106
local terms energy: -53.578135
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -74.993272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.993272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.993272 (E_RNA)
where:
Base-Base interactions energy: -22.012
where: short stacking energy: -19.421
Base-Backbone interact. energy: -0.223
local terms energy: -52.758133
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -75.491681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.491681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.491681 (E_RNA)
where:
Base-Base interactions energy: -27.957
where: short stacking energy: -23.450
Base-Backbone interact. energy: 0.505
local terms energy: -48.039902
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -217.623880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.623880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.623880 (E_RNA)
where:
Base-Base interactions energy: -135.354
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.550
local terms energy: -81.719958
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -13.991
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: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -210.753439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.753439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.753439 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.602
local terms energy: -75.681860
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -165.699747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699747 (E_RNA)
where:
Base-Base interactions energy: -100.041
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.227
local terms energy: -65.431442
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -12.103
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: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -188.952637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.952637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.952637 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.048
local terms energy: -68.324624
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -7.767
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: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -195.113838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113838 (E_RNA)
where:
Base-Base interactions energy: -122.075
where: short stacking energy: -55.883
Base-Backbone interact. energy: -0.042
local terms energy: -72.996128
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -95.654432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.654432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.654432 (E_RNA)
where:
Base-Base interactions energy: -37.809
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.085
local terms energy: -57.760738
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -12.906
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -90.614828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.614828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.614828 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.166
local terms energy: -50.525958
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -96.066967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066967 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.005
local terms energy: -53.099772
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -7.609
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -80.742553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.742553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.742553 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -28.663
Base-Backbone interact. energy: -0.224
local terms energy: -34.513756
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -74.388615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.388615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.388615 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.117
local terms energy: -39.678633
where:
bonds (distance) C4'-P energy: -6.536
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -3.428
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -213.359424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.359424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.359424 (E_RNA)
where:
Base-Base interactions energy: -140.030
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.100
local terms energy: -73.229150
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -8.631
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: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -212.588148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.588148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.588148 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.019
local terms energy: -79.128821
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -20.778
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: 64
Temperature: 1.000000
Total energy: -189.120225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.120225 (E_RNA)
where:
Base-Base interactions energy: -115.501
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.096
local terms energy: -73.523420
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -173.228570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.228570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.228570 (E_RNA)
where:
Base-Base interactions energy: -107.821
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.600
local terms energy: -64.807479
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -197.169116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.169116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.169116 (E_RNA)
where:
Base-Base interactions energy: -128.381
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.278
local terms energy: -68.510179
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -88.908042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.908042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.908042 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.015
local terms energy: -57.744470
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -83.554413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.554413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.554413 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.120
local terms energy: -48.986074
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -107.072301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072301 (E_RNA)
where:
Base-Base interactions energy: -57.295
where: short stacking energy: -38.560
Base-Backbone interact. energy: -0.017
local terms energy: -49.760669
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -5.192
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -81.507848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507848 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.219
local terms energy: -49.628215
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -76.316054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316054 (E_RNA)
where:
Base-Base interactions energy: -30.891
where: short stacking energy: -22.773
Base-Backbone interact. energy: -0.278
local terms energy: -45.146607
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -221.692735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692735 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.007
local terms energy: -82.046322
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -219.516340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.516340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.516340 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.396
local terms energy: -75.583015
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -180.716736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.716736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.716736 (E_RNA)
where:
Base-Base interactions energy: -103.862
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.128
local terms energy: -76.726688
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -203.251253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.251253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.251253 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.431
local terms energy: -73.765358
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -169.356534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.356534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.356534 (E_RNA)
where:
Base-Base interactions energy: -96.851
where: short stacking energy: -51.780
Base-Backbone interact. energy: 1.273
local terms energy: -73.778345
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -101.312305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.312305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.312305 (E_RNA)
where:
Base-Base interactions energy: -39.147
where: short stacking energy: -39.147
Base-Backbone interact. energy: -0.004
local terms energy: -62.161500
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -96.722284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.722284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.722284 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.099
local terms energy: -60.592677
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -86.618050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618050 (E_RNA)
where:
Base-Base interactions energy: -40.117
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.230
local terms energy: -46.270367
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -9.679
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -77.513912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513912 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.055
local terms energy: -44.622145
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -69.896421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.896421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.896421 (E_RNA)
where:
Base-Base interactions energy: -26.201
where: short stacking energy: -26.201
Base-Backbone interact. energy: -0.130
local terms energy: -43.565603
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: 0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -217.989862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.989862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.989862 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.225
local terms energy: -80.555721
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -212.364271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364271 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.033
local terms energy: -79.797086
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.841
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: 66
Temperature: 1.000000
Total energy: -205.712013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.712013 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.515
local terms energy: -76.747674
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -187.359315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.359315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.359315 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.002
local terms energy: -76.139660
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -20.394
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -170.122307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.122307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.122307 (E_RNA)
where:
Base-Base interactions energy: -106.183
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.000
local terms energy: -63.939199
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -88.569525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569525 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -35.293
Base-Backbone interact. energy: -0.128
local terms energy: -52.251993
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -5.610
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -115.151446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.151446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.151446 (E_RNA)
where:
Base-Base interactions energy: -51.685
where: short stacking energy: -32.540
Base-Backbone interact. energy: -0.939
local terms energy: -62.526972
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -83.155136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155136 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.492
local terms energy: -48.817863
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -81.960797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.960797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.960797 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.101
local terms energy: -56.520099
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -78.265518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.265518 (E_RNA)
where:
Base-Base interactions energy: -24.643
where: short stacking energy: -17.380
Base-Backbone interact. energy: 1.579
local terms energy: -55.200728
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -218.631100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.631100 (E_RNA)
where:
Base-Base interactions energy: -143.384
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.859
local terms energy: -74.388705
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -22.861
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: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -216.244495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244495 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -67.000
Base-Backbone interact. energy: 0.229
local terms energy: -75.791084
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -203.813721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.813721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.813721 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.488
local terms energy: -74.693894
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -185.859724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.859724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.859724 (E_RNA)
where:
Base-Base interactions energy: -119.392
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.075
local terms energy: -66.392575
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -5.737
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: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -173.142125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.142125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.142125 (E_RNA)
where:
Base-Base interactions energy: -104.919
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.020
local terms energy: -68.202918
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.477
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: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -122.501548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.501548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.501548 (E_RNA)
where:
Base-Base interactions energy: -72.359
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.296
local terms energy: -49.846183
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -92.369572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.369572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.369572 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -37.439
Base-Backbone interact. energy: 0.260
local terms energy: -50.163166
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -93.578168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.578168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.578168 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.104
local terms energy: -58.908029
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -75.023843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.023843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.023843 (E_RNA)
where:
Base-Base interactions energy: -24.839
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.161
local terms energy: -50.023740
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: 3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -70.229285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.229285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.229285 (E_RNA)
where:
Base-Base interactions energy: -21.300
where: short stacking energy: -18.373
Base-Backbone interact. energy: -0.299
local terms energy: -48.629686
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -221.857606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857606 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.491
local terms energy: -83.191985
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -212.793428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.793428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.793428 (E_RNA)
where:
Base-Base interactions energy: -134.280
where: short stacking energy: -67.931
Base-Backbone interact. energy: -0.013
local terms energy: -78.500586
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -207.988398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.988398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.988398 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.694
local terms energy: -74.332371
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -180.991053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.991053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.991053 (E_RNA)
where:
Base-Base interactions energy: -113.886
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.097
local terms energy: -67.007894
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -12.677
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -175.835336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.835336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.835336 (E_RNA)
where:
Base-Base interactions energy: -112.493
where: short stacking energy: -46.201
Base-Backbone interact. energy: -0.418
local terms energy: -62.923589
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -114.967134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.967134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.967134 (E_RNA)
where:
Base-Base interactions energy: -59.813
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.202
local terms energy: -54.952724
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -9.197
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -85.777568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.777568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.777568 (E_RNA)
where:
Base-Base interactions energy: -42.548
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.127
local terms energy: -43.103350
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.455
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: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -88.378763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.378763 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.216
local terms energy: -55.227304
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -84.233521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233521 (E_RNA)
where:
Base-Base interactions energy: -41.287
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.123
local terms energy: -42.823106
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -2.670
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -81.551536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.551536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.551536 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -33.027
Base-Backbone interact. energy: 0.265
local terms energy: -48.789416
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -215.990641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.990641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.990641 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -63.298
Base-Backbone interact. energy: 0.065
local terms energy: -79.180614
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -14.233
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: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -216.078163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.078163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.078163 (E_RNA)
where:
Base-Base interactions energy: -137.313
where: short stacking energy: -67.802
Base-Backbone interact. energy: -0.508
local terms energy: -78.257469
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -206.276399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.276399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.276399 (E_RNA)
where:
Base-Base interactions energy: -136.081
where: short stacking energy: -56.964
Base-Backbone interact. energy: 1.920
local terms energy: -72.115186
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -186.561952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.561952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.561952 (E_RNA)
where:
Base-Base interactions energy: -111.972
where: short stacking energy: -49.399
Base-Backbone interact. energy: 0.793
local terms energy: -75.383517
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -19.727
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -171.929235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.929235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.929235 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.068
local terms energy: -68.830405
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -101.030703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.030703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.030703 (E_RNA)
where:
Base-Base interactions energy: -41.618
where: short stacking energy: -32.582
Base-Backbone interact. energy: -0.031
local terms energy: -59.381110
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -86.823498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823498 (E_RNA)
where:
Base-Base interactions energy: -36.359
where: short stacking energy: -25.407
Base-Backbone interact. energy: 0.932
local terms energy: -51.396693
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: 2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -82.386156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386156 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.235
local terms energy: -54.114055
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -5.852
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: 69
Temperature: 1.300000
Total energy: -85.951151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.951151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.951151 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.069
local terms energy: -58.583122
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -76.163602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163602 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.108
local terms energy: -50.319996
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: 2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -224.802185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.802185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.802185 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.082
local terms energy: -83.403029
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -198.716117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716117 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.027
local terms energy: -71.332801
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -210.368614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.368614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.368614 (E_RNA)
where:
Base-Base interactions energy: -132.801
where: short stacking energy: -62.028
Base-Backbone interact. energy: -0.020
local terms energy: -77.547590
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -170.152926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.152926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.152926 (E_RNA)
where:
Base-Base interactions energy: -110.191
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.162
local terms energy: -59.799127
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -12.845
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: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -186.132397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.132397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.132397 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.002
local terms energy: -72.863778
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -17.530
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -110.986060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.986060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.986060 (E_RNA)
where:
Base-Base interactions energy: -58.886
where: short stacking energy: -43.400
Base-Backbone interact. energy: 1.016
local terms energy: -53.116701
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -85.191264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191264 (E_RNA)
where:
Base-Base interactions energy: -36.219
where: short stacking energy: -31.338
Base-Backbone interact. energy: 3.314
local terms energy: -52.285775
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -79.436082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.436082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.436082 (E_RNA)
where:
Base-Base interactions energy: -26.816
where: short stacking energy: -26.816
Base-Backbone interact. energy: -0.438
local terms energy: -52.182286
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -4.196
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: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -76.218094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.218094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.218094 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -21.297
Base-Backbone interact. energy: 1.105
local terms energy: -50.268420
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -85.769102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.769102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.769102 (E_RNA)
where:
Base-Base interactions energy: -28.614
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.007
local terms energy: -57.148240
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -220.151866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151866 (E_RNA)
where:
Base-Base interactions energy: -139.507
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.517
local terms energy: -80.127846
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -22.615
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -212.090508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.090508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.090508 (E_RNA)
where:
Base-Base interactions energy: -134.752
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.044
local terms energy: -77.295201
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -204.625320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625320 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.129
local terms energy: -77.584954
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -177.298847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.298847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.298847 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.025
local terms energy: -64.403430
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -158.597411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.597411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.597411 (E_RNA)
where:
Base-Base interactions energy: -97.324
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.139
local terms energy: -61.134901
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -102.910035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910035 (E_RNA)
where:
Base-Base interactions energy: -54.458
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.305
local terms energy: -48.147295
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -105.008903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.008903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.008903 (E_RNA)
where:
Base-Base interactions energy: -55.934
where: short stacking energy: -36.017
Base-Backbone interact. energy: -0.224
local terms energy: -48.851330
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -7.378
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -81.594403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.594403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.594403 (E_RNA)
where:
Base-Base interactions energy: -30.076
where: short stacking energy: -30.076
Base-Backbone interact. energy: -0.019
local terms energy: -51.499702
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -76.113079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.113079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.113079 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -27.874
Base-Backbone interact. energy: -0.738
local terms energy: -44.758647
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: 2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.404523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.404523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.404523 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.182
local terms energy: -46.380718
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: 2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -215.217341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.217341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.217341 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.015
local terms energy: -77.662809
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -214.730452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.730452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.730452 (E_RNA)
where:
Base-Base interactions energy: -135.115
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.001
local terms energy: -79.614514
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -14.453
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: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -200.878758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878758 (E_RNA)
where:
Base-Base interactions energy: -120.602
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.032
local terms energy: -80.244559
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.619
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: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -198.763956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763956 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.148
local terms energy: -69.036638
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -12.390
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: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -166.795141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.795141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.795141 (E_RNA)
where:
Base-Base interactions energy: -94.789
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.619
local terms energy: -71.386198
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -89.716069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.716069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.716069 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -30.494
Base-Backbone interact. energy: -0.224
local terms energy: -53.580643
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -93.390348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.390348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.390348 (E_RNA)
where:
Base-Base interactions energy: -41.409
where: short stacking energy: -26.089
Base-Backbone interact. energy: -1.112
local terms energy: -50.869668
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -81.107779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107779 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.095
local terms energy: -51.928604
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -81.715494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.715494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.715494 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -26.707
Base-Backbone interact. energy: 0.952
local terms energy: -51.249632
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -73.260267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.260267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.260267 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.161
local terms energy: -45.450600
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -218.773670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.773670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.773670 (E_RNA)
where:
Base-Base interactions energy: -137.516
where: short stacking energy: -67.644
Base-Backbone interact. energy: 0.567
local terms energy: -81.824420
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -203.555435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.555435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.555435 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.081
local terms energy: -77.195538
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.200
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -197.568534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.568534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.568534 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.035
local terms energy: -73.167203
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.594
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: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -177.201226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201226 (E_RNA)
where:
Base-Base interactions energy: -108.396
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.013
local terms energy: -68.792070
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -13.611
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: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -158.574904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.574904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.574904 (E_RNA)
where:
Base-Base interactions energy: -92.323
where: short stacking energy: -49.426
Base-Backbone interact. energy: -0.001
local terms energy: -66.250254
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -15.719
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: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -97.191323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.191323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.191323 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.242
local terms energy: -59.013922
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -82.754723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754723 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -29.438
Base-Backbone interact. energy: -1.032
local terms energy: -47.496499
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -2.032
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: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -83.665009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.665009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.665009 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -16.956
Base-Backbone interact. energy: -0.542
local terms energy: -48.358217
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -76.441869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.441869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.441869 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -23.202
Base-Backbone interact. energy: -0.548
local terms energy: -52.692101
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -4.974
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -79.036868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.036868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.036868 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -24.796
Base-Backbone interact. energy: -0.110
local terms energy: -48.962084
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -215.228232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228232 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -64.322
Base-Backbone interact. energy: -1.098
local terms energy: -78.947670
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -21.217
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: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -200.014192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.014192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.014192 (E_RNA)
where:
Base-Base interactions energy: -122.956
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.089
local terms energy: -76.969071
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -181.274405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274405 (E_RNA)
where:
Base-Base interactions energy: -111.153
where: short stacking energy: -57.333
Base-Backbone interact. energy: -0.117
local terms energy: -70.004169
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.054
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: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -212.875340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.875340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.875340 (E_RNA)
where:
Base-Base interactions energy: -135.400
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.008
local terms energy: -77.467212
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -183.456767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.456767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.456767 (E_RNA)
where:
Base-Base interactions energy: -120.452
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.009
local terms energy: -62.995658
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -94.559906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559906 (E_RNA)
where:
Base-Base interactions energy: -38.946
where: short stacking energy: -33.691
Base-Backbone interact. energy: -0.096
local terms energy: -55.518115
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -2.755
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: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -86.866988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866988 (E_RNA)
where:
Base-Base interactions energy: -38.383
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.071
local terms energy: -48.413057
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -0.292
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: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -72.408518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.408518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.408518 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -20.805
Base-Backbone interact. energy: -1.272
local terms energy: -45.773596
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -71.308290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.308290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.308290 (E_RNA)
where:
Base-Base interactions energy: -17.208
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.826
local terms energy: -53.274088
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -67.495219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.495219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.495219 (E_RNA)
where:
Base-Base interactions energy: -20.257
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.921
local terms energy: -46.317748
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -218.044810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.044810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.044810 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -65.721
Base-Backbone interact. energy: 0.348
local terms energy: -83.455519
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -22.899
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -180.258264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.258264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.258264 (E_RNA)
where:
Base-Base interactions energy: -115.794
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.229
local terms energy: -64.235223
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -184.164835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.164835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.164835 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -56.437
Base-Backbone interact. energy: -0.852
local terms energy: -67.510978
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -199.410316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.410316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.410316 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -58.523
Base-Backbone interact. energy: -0.085
local terms energy: -73.875775
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -15.354
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: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -205.980538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.980538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.980538 (E_RNA)
where:
Base-Base interactions energy: -130.207
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.560
local terms energy: -75.214059
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -131.629146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.629146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.629146 (E_RNA)
where:
Base-Base interactions energy: -68.094
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.067
local terms energy: -63.468602
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.726
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: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -88.958347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.958347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.958347 (E_RNA)
where:
Base-Base interactions energy: -37.408
where: short stacking energy: -25.283
Base-Backbone interact. energy: -0.282
local terms energy: -51.268252
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -73.066733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.066733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.066733 (E_RNA)
where:
Base-Base interactions energy: -25.016
where: short stacking energy: -25.216
Base-Backbone interact. energy: 1.702
local terms energy: -49.752664
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -75.812237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.812237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.812237 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.058
local terms energy: -48.884613
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -73.132620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.132620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.132620 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -20.399
Base-Backbone interact. energy: 0.840
local terms energy: -39.664367
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -224.170135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.170135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.170135 (E_RNA)
where:
Base-Base interactions energy: -141.552
where: short stacking energy: -68.630
Base-Backbone interact. energy: -0.200
local terms energy: -82.418492
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.871
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -195.142490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.142490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.142490 (E_RNA)
where:
Base-Base interactions energy: -124.612
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.112
local terms energy: -70.418283
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -188.261676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.261676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.261676 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.013
local terms energy: -69.526702
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -174.066603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.066603 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.075
local terms energy: -71.265878
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -192.937367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.937367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.937367 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.328
local terms energy: -70.957301
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -137.869418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.869418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.869418 (E_RNA)
where:
Base-Base interactions energy: -66.489
where: short stacking energy: -48.092
Base-Backbone interact. energy: -0.048
local terms energy: -71.332775
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -82.920950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.920950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.920950 (E_RNA)
where:
Base-Base interactions energy: -23.034
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.021
local terms energy: -59.866019
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -89.975581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.975581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.975581 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -20.079
Base-Backbone interact. energy: 0.413
local terms energy: -51.142829
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -94.439306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439306 (E_RNA)
where:
Base-Base interactions energy: -45.102
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.064
local terms energy: -49.273545
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -73.681774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.681774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.681774 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.253
local terms energy: -38.011035
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -219.144775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.144775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.144775 (E_RNA)
where:
Base-Base interactions energy: -149.757
where: short stacking energy: -69.978
Base-Backbone interact. energy: -1.245
local terms energy: -68.142729
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -16.781
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -198.221202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.221202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.221202 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -63.472
Base-Backbone interact. energy: -0.005
local terms energy: -75.824651
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -176.469829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.469829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.469829 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.106
local terms energy: -65.702550
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -199.542262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.542262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542262 (E_RNA)
where:
Base-Base interactions energy: -127.696
where: short stacking energy: -65.989
Base-Backbone interact. energy: 0.767
local terms energy: -72.613282
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -178.753317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.753317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.753317 (E_RNA)
where:
Base-Base interactions energy: -109.814
where: short stacking energy: -60.431
Base-Backbone interact. energy: -0.004
local terms energy: -68.935810
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -15.794
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: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -126.023493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.023493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.023493 (E_RNA)
where:
Base-Base interactions energy: -74.979
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.246
local terms energy: -50.798089
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -82.757447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.757447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.757447 (E_RNA)
where:
Base-Base interactions energy: -24.220
where: short stacking energy: -21.952
Base-Backbone interact. energy: -0.088
local terms energy: -58.449616
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -119.422231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.422231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.422231 (E_RNA)
where:
Base-Base interactions energy: -62.883
where: short stacking energy: -27.068
Base-Backbone interact. energy: 0.001
local terms energy: -56.540415
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -86.215490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215490 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -37.561
Base-Backbone interact. energy: 1.842
local terms energy: -47.337929
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -6.227
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -68.495620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.495620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.495620 (E_RNA)
where:
Base-Base interactions energy: -22.104
where: short stacking energy: -22.058
Base-Backbone interact. energy: -0.264
local terms energy: -46.127609
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -208.654628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.654628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.654628 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.004
local terms energy: -78.851942
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -217.332517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.332517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.332517 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.001
local terms energy: -78.770981
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -213.428522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.428522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.428522 (E_RNA)
where:
Base-Base interactions energy: -134.161
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.539
local terms energy: -78.728229
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -23.686
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -167.394700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.394700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.394700 (E_RNA)
where:
Base-Base interactions energy: -97.297
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.422
local terms energy: -69.676151
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -167.260436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.260436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.260436 (E_RNA)
where:
Base-Base interactions energy: -106.438
where: short stacking energy: -52.050
Base-Backbone interact. energy: 0.498
local terms energy: -61.320697
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -137.397234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.397234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.397234 (E_RNA)
where:
Base-Base interactions energy: -73.231
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.225
local terms energy: -63.941904
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.425
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: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -137.906292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.906292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.906292 (E_RNA)
where:
Base-Base interactions energy: -77.235
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.130
local terms energy: -60.541313
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -9.269
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: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -97.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.494853 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -41.661
Base-Backbone interact. energy: -0.103
local terms energy: -51.190601
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -6.725
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -75.034159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.034159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.034159 (E_RNA)
where:
Base-Base interactions energy: -29.525
where: short stacking energy: -22.387
Base-Backbone interact. energy: -0.183
local terms energy: -45.325927
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -77.306408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306408 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -28.740
Base-Backbone interact. energy: -0.836
local terms energy: -47.731232
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -0.047
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -202.702033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.702033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.702033 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.087
local terms energy: -78.520661
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -211.229268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.229268 (E_RNA)
where:
Base-Base interactions energy: -134.170
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.017
local terms energy: -77.042430
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -208.564043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564043 (E_RNA)
where:
Base-Base interactions energy: -133.703
where: short stacking energy: -70.146
Base-Backbone interact. energy: -0.049
local terms energy: -74.812261
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -185.851647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851647 (E_RNA)
where:
Base-Base interactions energy: -108.955
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.378
local terms energy: -76.518163
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -148.883284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.883284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.883284 (E_RNA)
where:
Base-Base interactions energy: -87.700
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.014
local terms energy: -61.168502
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -7.018
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -147.736658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.736658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.736658 (E_RNA)
where:
Base-Base interactions energy: -91.927
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.162
local terms energy: -55.647315
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -8.356
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: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -94.378544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.378544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.378544 (E_RNA)
where:
Base-Base interactions energy: -54.603
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.129
local terms energy: -39.646898
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.003072 (E_RNA)
where:
Base-Base interactions energy: -42.142
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.171
local terms energy: -56.689446
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -75.768306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768306 (E_RNA)
where:
Base-Base interactions energy: -22.752
where: short stacking energy: -21.338
Base-Backbone interact. energy: -1.390
local terms energy: -51.625471
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.051571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.051571 (E_RNA)
where:
Base-Base interactions energy: -34.720
where: short stacking energy: -16.660
Base-Backbone interact. energy: -0.242
local terms energy: -41.090041
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: 4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -217.376729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376729 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.042
local terms energy: -76.194172
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -194.038128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.038128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.038128 (E_RNA)
where:
Base-Base interactions energy: -120.363
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.050
local terms energy: -73.625117
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.684
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: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -207.826310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.826310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.826310 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.002
local terms energy: -74.235712
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -20.968
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -175.595065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.595065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.595065 (E_RNA)
where:
Base-Base interactions energy: -109.328
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.389
local terms energy: -65.877779
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.973
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: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -163.261238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.261238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.261238 (E_RNA)
where:
Base-Base interactions energy: -98.480
where: short stacking energy: -43.502
Base-Backbone interact. energy: -0.158
local terms energy: -64.622975
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -152.314211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.314211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.314211 (E_RNA)
where:
Base-Base interactions energy: -84.536
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.243
local terms energy: -67.536049
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -91.190860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.190860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.190860 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -34.894
Base-Backbone interact. energy: -0.260
local terms energy: -55.608267
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -90.345754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345754 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -23.788
Base-Backbone interact. energy: 2.113
local terms energy: -53.518957
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -99.365155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.365155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.365155 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -33.420
Base-Backbone interact. energy: -0.218
local terms energy: -60.096215
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -69.800631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.800631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.800631 (E_RNA)
where:
Base-Base interactions energy: -14.251
where: short stacking energy: -14.251
Base-Backbone interact. energy: 0.734
local terms energy: -56.283905
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -217.660161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.660161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.660161 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.130
local terms energy: -76.240816
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.801
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: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -218.772457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.772457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.772457 (E_RNA)
where:
Base-Base interactions energy: -137.380
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.016
local terms energy: -81.376920
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -185.032879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.032879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.032879 (E_RNA)
where:
Base-Base interactions energy: -118.190
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.259
local terms energy: -66.583417
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -171.405933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.405933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.405933 (E_RNA)
where:
Base-Base interactions energy: -105.882
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.105
local terms energy: -65.419086
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -150.150786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.150786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.150786 (E_RNA)
where:
Base-Base interactions energy: -89.265
where: short stacking energy: -44.182
Base-Backbone interact. energy: 0.367
local terms energy: -61.253052
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -15.626
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -129.273841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.273841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.273841 (E_RNA)
where:
Base-Base interactions energy: -72.009
where: short stacking energy: -40.593
Base-Backbone interact. energy: -0.060
local terms energy: -57.204397
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -10.540
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: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -97.740482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740482 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.118
local terms energy: -55.018736
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -100.940503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940503 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.093
local terms energy: -57.815538
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -89.917290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917290 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.088
local terms energy: -51.397942
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -83.106758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106758 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.029
local terms energy: -50.555796
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -219.299568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.299568 (E_RNA)
where:
Base-Base interactions energy: -140.806
where: short stacking energy: -70.587
Base-Backbone interact. energy: -0.045
local terms energy: -78.448416
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -213.892359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.892359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.892359 (E_RNA)
where:
Base-Base interactions energy: -137.944
where: short stacking energy: -65.420
Base-Backbone interact. energy: 0.142
local terms energy: -76.090026
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -202.144291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.144291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144291 (E_RNA)
where:
Base-Base interactions energy: -126.023
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.008
local terms energy: -76.113516
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -164.235220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.235220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.235220 (E_RNA)
where:
Base-Base interactions energy: -96.998
where: short stacking energy: -39.654
Base-Backbone interact. energy: -0.048
local terms energy: -67.189615
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -147.486535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.486535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.486535 (E_RNA)
where:
Base-Base interactions energy: -86.109
where: short stacking energy: -46.363
Base-Backbone interact. energy: 0.023
local terms energy: -61.401371
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -109.349842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.349842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.349842 (E_RNA)
where:
Base-Base interactions energy: -47.117
where: short stacking energy: -38.335
Base-Backbone interact. energy: 1.405
local terms energy: -63.638039
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -123.820937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.820937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.820937 (E_RNA)
where:
Base-Base interactions energy: -67.607
where: short stacking energy: -23.350
Base-Backbone interact. energy: -0.165
local terms energy: -56.048597
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.996890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.996890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.996890 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.385
local terms energy: -48.506772
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -73.306241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.306241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.306241 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -20.139
Base-Backbone interact. energy: -0.237
local terms energy: -45.157367
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -10.404
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: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -90.570433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.570433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.570433 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -31.322
Base-Backbone interact. energy: 1.500
local terms energy: -54.491951
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -219.416152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.416152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.416152 (E_RNA)
where:
Base-Base interactions energy: -139.427
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.001
local terms energy: -79.987818
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -214.951244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.951244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.951244 (E_RNA)
where:
Base-Base interactions energy: -131.771
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.055
local terms energy: -83.125458
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -187.683200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.683200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.683200 (E_RNA)
where:
Base-Base interactions energy: -111.867
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.002
local terms energy: -75.814423
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -17.356
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: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -188.042459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.042459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.042459 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.003
local terms energy: -67.614371
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -138.168422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.168422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.168422 (E_RNA)
where:
Base-Base interactions energy: -81.795
where: short stacking energy: -32.646
Base-Backbone interact. energy: -0.244
local terms energy: -56.129766
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -122.063472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.063472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.063472 (E_RNA)
where:
Base-Base interactions energy: -71.796
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.212
local terms energy: -50.055266
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -7.695
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: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -94.568836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.568836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.568836 (E_RNA)
where:
Base-Base interactions energy: -44.383
where: short stacking energy: -32.366
Base-Backbone interact. energy: 0.226
local terms energy: -50.411384
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -86.243934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243934 (E_RNA)
where:
Base-Base interactions energy: -31.625
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.401
local terms energy: -54.217767
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -77.155522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155522 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -28.725
Base-Backbone interact. energy: -0.111
local terms energy: -48.319070
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -71.243806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.243806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.243806 (E_RNA)
where:
Base-Base interactions energy: -24.008
where: short stacking energy: -23.147
Base-Backbone interact. energy: 0.043
local terms energy: -47.278767
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: 2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -217.518075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.518075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.518075 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -61.173
Base-Backbone interact. energy: -2.552
local terms energy: -79.751949
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -213.761794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.761794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.761794 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -63.650
Base-Backbone interact. energy: -0.030
local terms energy: -74.875544
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -196.726947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.726947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.726947 (E_RNA)
where:
Base-Base interactions energy: -119.778
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.002
local terms energy: -76.946806
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -171.642074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.642074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.642074 (E_RNA)
where:
Base-Base interactions energy: -101.879
where: short stacking energy: -45.898
Base-Backbone interact. energy: -0.119
local terms energy: -69.644600
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.261
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -143.953177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.953177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.953177 (E_RNA)
where:
Base-Base interactions energy: -82.419
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.459
local terms energy: -61.075468
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -111.255542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.255542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.255542 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.162
local terms energy: -57.435234
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -104.737782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.737782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.737782 (E_RNA)
where:
Base-Base interactions energy: -62.236
where: short stacking energy: -33.536
Base-Backbone interact. energy: -0.067
local terms energy: -42.434122
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -89.287241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.287241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.287241 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -32.836
Base-Backbone interact. energy: -0.017
local terms energy: -53.363656
where:
bonds (distance) C4'-P energy: -6.510
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -7.973
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -88.963994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963994 (E_RNA)
where:
Base-Base interactions energy: -43.981
where: short stacking energy: -18.840
Base-Backbone interact. energy: 0.267
local terms energy: -45.249608
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -5.214
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -73.378543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.378543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.378543 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -24.665
Base-Backbone interact. energy: -0.072
local terms energy: -39.719419
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: 1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -218.156885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.156885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.156885 (E_RNA)
where:
Base-Base interactions energy: -138.223
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.094
local terms energy: -79.840146
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -22.593
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: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -197.146570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.146570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.146570 (E_RNA)
where:
Base-Base interactions energy: -126.876
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.016
local terms energy: -70.255166
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -203.957221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.957221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.957221 (E_RNA)
where:
Base-Base interactions energy: -122.456
where: short stacking energy: -62.523
Base-Backbone interact. energy: -1.801
local terms energy: -79.700402
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -24.505
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: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -189.063485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.063485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.063485 (E_RNA)
where:
Base-Base interactions energy: -123.253
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.006
local terms energy: -65.803772
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.177
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: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -121.069057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.069057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.069057 (E_RNA)
where:
Base-Base interactions energy: -68.560
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.115
local terms energy: -52.394564
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -154.739730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.739730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.739730 (E_RNA)
where:
Base-Base interactions energy: -95.463
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.003
local terms energy: -59.273845
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -13.990
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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -109.072333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.072333 (E_RNA)
where:
Base-Base interactions energy: -46.194
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.251
local terms energy: -62.627421
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -87.058042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.058042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.058042 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -18.885
Base-Backbone interact. energy: -0.216
local terms energy: -52.853099
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: 2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -77.163190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.163190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.163190 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.337
local terms energy: -43.565548
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -70.968680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.968680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.968680 (E_RNA)
where:
Base-Base interactions energy: -26.423
where: short stacking energy: -22.480
Base-Backbone interact. energy: -0.185
local terms energy: -44.360703
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: 2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -215.600543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.600543 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.233
local terms energy: -73.477607
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -19.322
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: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -213.086061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.086061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086061 (E_RNA)
where:
Base-Base interactions energy: -136.330
where: short stacking energy: -70.811
Base-Backbone interact. energy: -0.115
local terms energy: -76.640320
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -190.980929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980929 (E_RNA)
where:
Base-Base interactions energy: -123.041
where: short stacking energy: -53.348
Base-Backbone interact. energy: -0.506
local terms energy: -67.434065
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -13.935
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -196.349372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.349372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.349372 (E_RNA)
where:
Base-Base interactions energy: -126.708
where: short stacking energy: -60.394
Base-Backbone interact. energy: 0.768
local terms energy: -70.409320
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -20.136
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: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -140.449919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.449919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.449919 (E_RNA)
where:
Base-Base interactions energy: -79.290
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.151
local terms energy: -61.008693
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -0.368
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: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -87.926644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.926644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.926644 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -22.367
Base-Backbone interact. energy: -0.157
local terms energy: -55.908493
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -5.444
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -129.356691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.356691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.356691 (E_RNA)
where:
Base-Base interactions energy: -73.641
where: short stacking energy: -34.269
Base-Backbone interact. energy: -0.235
local terms energy: -55.481447
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -87.731682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731682 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.101
local terms energy: -53.093635
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -75.457169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.457169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.457169 (E_RNA)
where:
Base-Base interactions energy: -23.771
where: short stacking energy: -23.059
Base-Backbone interact. energy: 0.518
local terms energy: -52.203605
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.576491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.576491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.576491 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -3.230
Base-Backbone interact. energy: -0.758
local terms energy: -50.487210
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: 3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -220.181504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.181504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.181504 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -67.224
Base-Backbone interact. energy: 0.332
local terms energy: -82.763085
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -201.261463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.261463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.261463 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.144
local terms energy: -69.301201
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -211.518402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.518402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.518402 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.037
local terms energy: -77.983076
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -10.252
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: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -206.897819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.897819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.897819 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.089
local terms energy: -82.141868
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -23.482
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: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -166.229739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229739 (E_RNA)
where:
Base-Base interactions energy: -96.663
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.111
local terms energy: -69.455983
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -93.254488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.254488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.254488 (E_RNA)
where:
Base-Base interactions energy: -42.760
where: short stacking energy: -41.895
Base-Backbone interact. energy: -0.064
local terms energy: -50.430910
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: 1.152
tors. eta vs tors. theta energy: -8.878
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: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -93.314027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.314027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.314027 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -26.109
Base-Backbone interact. energy: -0.011
local terms energy: -52.796978
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -75.239072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.239072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.239072 (E_RNA)
where:
Base-Base interactions energy: -21.654
where: short stacking energy: -19.324
Base-Backbone interact. energy: -0.078
local terms energy: -53.507020
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -75.036671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.036671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.036671 (E_RNA)
where:
Base-Base interactions energy: -18.553
where: short stacking energy: -18.553
Base-Backbone interact. energy: -0.117
local terms energy: -56.366529
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -74.412233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.412233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.412233 (E_RNA)
where:
Base-Base interactions energy: -20.323
where: short stacking energy: -20.323
Base-Backbone interact. energy: -0.118
local terms energy: -53.971253
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -204.843244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.843244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.843244 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.004
local terms energy: -73.913381
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -216.225051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.225051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.225051 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -66.943
Base-Backbone interact. energy: 0.357
local terms energy: -80.495951
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -22.157
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: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -213.211669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.211669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.211669 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -64.245
Base-Backbone interact. energy: 1.084
local terms energy: -79.959644
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -191.462450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.462450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.462450 (E_RNA)
where:
Base-Base interactions energy: -118.733
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.107
local terms energy: -72.622367
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -151.141054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.141054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.141054 (E_RNA)
where:
Base-Base interactions energy: -95.834
where: short stacking energy: -42.919
Base-Backbone interact. energy: -0.115
local terms energy: -55.191871
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -99.724638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.724638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.724638 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.032
local terms energy: -60.761402
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -109.269276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.269276 (E_RNA)
where:
Base-Base interactions energy: -52.210
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.044
local terms energy: -57.014465
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -95.117109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.117109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.117109 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -38.147
Base-Backbone interact. energy: -0.015
local terms energy: -56.955064
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -73.721517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.721517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.721517 (E_RNA)
where:
Base-Base interactions energy: -26.371
where: short stacking energy: -22.988
Base-Backbone interact. energy: -0.875
local terms energy: -46.475030
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -87.466714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466714 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -39.622
Base-Backbone interact. energy: -0.008
local terms energy: -45.566294
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -203.667968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.667968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.667968 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.164
local terms energy: -73.575540
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -207.146213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.146213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.146213 (E_RNA)
where:
Base-Base interactions energy: -131.372
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.000
local terms energy: -75.774396
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -210.337401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.337401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.337401 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -66.939
Base-Backbone interact. energy: -0.018
local terms energy: -73.048119
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -193.611541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.611541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.611541 (E_RNA)
where:
Base-Base interactions energy: -124.533
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.104
local terms energy: -68.975024
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.237
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: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -160.330848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.330848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.330848 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -41.947
Base-Backbone interact. energy: 1.579
local terms energy: -56.491332
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -91.655641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655641 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -28.854
Base-Backbone interact. energy: -0.153
local terms energy: -62.648745
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.853
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: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -88.153308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.153308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.153308 (E_RNA)
where:
Base-Base interactions energy: -38.186
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.112
local terms energy: -49.855147
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -82.770632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770632 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -28.343
Base-Backbone interact. energy: 0.870
local terms energy: -51.812227
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -76.481243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481243 (E_RNA)
where:
Base-Base interactions energy: -26.212
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.247
local terms energy: -50.021951
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -82.725860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.725860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.725860 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.284
local terms energy: -52.568075
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -12.474
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -208.405405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.405405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.405405 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.069
local terms energy: -75.386504
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -212.682767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682767 (E_RNA)
where:
Base-Base interactions energy: -132.716
where: short stacking energy: -63.932
Base-Backbone interact. energy: 0.188
local terms energy: -80.155274
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -23.314
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: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -213.883190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.883190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.883190 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -60.486
Base-Backbone interact. energy: 1.212
local terms energy: -82.391397
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -204.443165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.443165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.443165 (E_RNA)
where:
Base-Base interactions energy: -136.774
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.077
local terms energy: -67.591771
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -102.398114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398114 (E_RNA)
where:
Base-Base interactions energy: -54.409
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.260
local terms energy: -47.728437
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -165.412585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.412585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.412585 (E_RNA)
where:
Base-Base interactions energy: -109.819
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.038
local terms energy: -55.555413
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -91.094110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.094110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.094110 (E_RNA)
where:
Base-Base interactions energy: -40.976
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.976
local terms energy: -49.141205
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -85.152969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.152969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.152969 (E_RNA)
where:
Base-Base interactions energy: -34.709
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.074
local terms energy: -50.369180
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -79.637706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637706 (E_RNA)
where:
Base-Base interactions energy: -43.374
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.100
local terms energy: -36.164123
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -6.843
flat angles P-C4'-P energy: -1.325
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -73.020526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.020526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.020526 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.536
local terms energy: -46.600100
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -202.961207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.961207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.961207 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.306
local terms energy: -70.650153
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -17.892
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -217.020685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.020685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.020685 (E_RNA)
where:
Base-Base interactions energy: -138.784
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.016
local terms energy: -78.220844
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -21.553
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -208.838588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.838588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.838588 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.278
local terms energy: -80.345664
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -196.334110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.334110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.334110 (E_RNA)
where:
Base-Base interactions energy: -123.245
where: short stacking energy: -51.345
Base-Backbone interact. energy: -0.012
local terms energy: -73.077487
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -92.811127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.811127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.811127 (E_RNA)
where:
Base-Base interactions energy: -41.383
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.668
local terms energy: -50.759245
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -170.012870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.012870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.012870 (E_RNA)
where:
Base-Base interactions energy: -103.574
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.082
local terms energy: -66.356841
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -13.646
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: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -84.179728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.179728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.179728 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.154
local terms energy: -54.711095
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -115.318740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.318740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.318740 (E_RNA)
where:
Base-Base interactions energy: -61.716
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.148
local terms energy: -53.454181
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -70.445042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.445042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.445042 (E_RNA)
where:
Base-Base interactions energy: -24.184
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.074
local terms energy: -46.187286
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -83.127568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.127568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.127568 (E_RNA)
where:
Base-Base interactions energy: -37.626
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.376
local terms energy: -45.126131
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -6.257
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -223.380442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380442 (E_RNA)
where:
Base-Base interactions energy: -143.034
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.295
local terms energy: -80.051386
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -23.370
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: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -201.499961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.499961 (E_RNA)
where:
Base-Base interactions energy: -127.842
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.036
local terms energy: -73.621911
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -196.039245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.039245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.039245 (E_RNA)
where:
Base-Base interactions energy: -125.527
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.096
local terms energy: -70.416086
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -8.724
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.933
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: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -186.588045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.588045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.588045 (E_RNA)
where:
Base-Base interactions energy: -109.817
where: short stacking energy: -51.592
Base-Backbone interact. energy: -1.355
local terms energy: -75.416846
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -131.577819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.577819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.577819 (E_RNA)
where:
Base-Base interactions energy: -67.845
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.199
local terms energy: -63.533298
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -11.619
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: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -102.553946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.553946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.553946 (E_RNA)
where:
Base-Base interactions energy: -50.348
where: short stacking energy: -23.641
Base-Backbone interact. energy: 1.553
local terms energy: -53.759244
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -118.563856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.563856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.563856 (E_RNA)
where:
Base-Base interactions energy: -60.645
where: short stacking energy: -39.542
Base-Backbone interact. energy: -0.177
local terms energy: -57.741633
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -83.143239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.143239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.143239 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.116
local terms energy: -49.267555
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -81.548752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548752 (E_RNA)
where:
Base-Base interactions energy: -23.913
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.399
local terms energy: -57.237218
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -91.943164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943164 (E_RNA)
where:
Base-Base interactions energy: -43.176
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.167
local terms energy: -48.599680
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -216.082585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.082585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.082585 (E_RNA)
where:
Base-Base interactions energy: -133.271
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.023
local terms energy: -82.787946
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -209.647806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.647806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.647806 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.030
local terms energy: -74.427212
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -189.339147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.339147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.339147 (E_RNA)
where:
Base-Base interactions energy: -116.365
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.002
local terms energy: -72.972121
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -12.078
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -206.511460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.511460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.511460 (E_RNA)
where:
Base-Base interactions energy: -133.502
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.013
local terms energy: -72.996981
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -11.006
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: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -148.291000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.291000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.291000 (E_RNA)
where:
Base-Base interactions energy: -85.223
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.149
local terms energy: -62.918638
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.745
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: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -116.999790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.999790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.999790 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -36.819
Base-Backbone interact. energy: -0.189
local terms energy: -63.704080
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -97.697183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.697183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.697183 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -33.919
Base-Backbone interact. energy: -0.659
local terms energy: -61.336613
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -7.529
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: 93
Temperature: 1.250000
Total energy: -85.666110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.666110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.666110 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -24.452
Base-Backbone interact. energy: -0.194
local terms energy: -55.854344
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -6.443
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: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -96.866883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.866883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.866883 (E_RNA)
where:
Base-Base interactions energy: -51.693
where: short stacking energy: -42.779
Base-Backbone interact. energy: 0.948
local terms energy: -46.121773
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.574
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: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.685545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.685545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.685545 (E_RNA)
where:
Base-Base interactions energy: -31.890
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.472
local terms energy: -48.324276
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -220.310435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.310435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.310435 (E_RNA)
where:
Base-Base interactions energy: -137.682
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.010
local terms energy: -82.618175
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -211.292567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292567 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.016
local terms energy: -67.416733
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -212.600042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.600042 (E_RNA)
where:
Base-Base interactions energy: -136.833
where: short stacking energy: -71.670
Base-Backbone interact. energy: 1.545
local terms energy: -77.312494
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -14.803
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: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -188.310807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.310807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.310807 (E_RNA)
where:
Base-Base interactions energy: -115.528
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.476
local terms energy: -72.307200
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -136.316580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.316580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.316580 (E_RNA)
where:
Base-Base interactions energy: -84.423
where: short stacking energy: -38.061
Base-Backbone interact. energy: -0.031
local terms energy: -51.863154
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -108.229426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.229426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.229426 (E_RNA)
where:
Base-Base interactions energy: -52.759
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.245
local terms energy: -55.225818
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -96.246693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.246693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.246693 (E_RNA)
where:
Base-Base interactions energy: -41.698
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.260
local terms energy: -54.288826
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -76.507321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507321 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -21.294
Base-Backbone interact. energy: -0.236
local terms energy: -51.659401
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -81.595676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.595676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.595676 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -25.704
Base-Backbone interact. energy: -0.259
local terms energy: -51.396025
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -78.899908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.899908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.899908 (E_RNA)
where:
Base-Base interactions energy: -28.253
where: short stacking energy: -28.253
Base-Backbone interact. energy: 0.952
local terms energy: -51.598059
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -217.828727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.828727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.828727 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.023
local terms energy: -83.925869
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -210.709484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.709484 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.001
local terms energy: -81.559380
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -204.243796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.243796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.243796 (E_RNA)
where:
Base-Base interactions energy: -130.762
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.175
local terms energy: -73.306379
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -193.924922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.924922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.924922 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -66.032
Base-Backbone interact. energy: 2.610
local terms energy: -70.118701
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -7.340
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: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -168.985228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.985228 (E_RNA)
where:
Base-Base interactions energy: -96.959
where: short stacking energy: -49.208
Base-Backbone interact. energy: -0.220
local terms energy: -71.806834
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.550
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: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -99.226196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.226196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.226196 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.204
local terms energy: -59.655285
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -93.777087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.777087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.777087 (E_RNA)
where:
Base-Base interactions energy: -38.255
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.115
local terms energy: -55.406718
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -81.207892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.207892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.207892 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -29.105
Base-Backbone interact. energy: 1.494
local terms energy: -51.446251
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.921954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.921954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.921954 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -23.918
Base-Backbone interact. energy: -0.127
local terms energy: -46.617621
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: 1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.525756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.525756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.525756 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -14.909
Base-Backbone interact. energy: 0.586
local terms energy: -45.511789
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -215.333602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.333602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.333602 (E_RNA)
where:
Base-Base interactions energy: -136.575
where: short stacking energy: -74.514
Base-Backbone interact. energy: -0.053
local terms energy: -78.705098
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -211.103629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.103629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.103629 (E_RNA)
where:
Base-Base interactions energy: -139.523
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.212
local terms energy: -71.368533
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -184.858564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.858564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.858564 (E_RNA)
where:
Base-Base interactions energy: -118.214
where: short stacking energy: -56.678
Base-Backbone interact. energy: 1.297
local terms energy: -67.941854
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -202.675422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.675422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.675422 (E_RNA)
where:
Base-Base interactions energy: -127.268
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.002
local terms energy: -75.405840
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -153.241916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.241916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.241916 (E_RNA)
where:
Base-Base interactions energy: -97.347
where: short stacking energy: -36.709
Base-Backbone interact. energy: -1.121
local terms energy: -54.773131
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -84.290197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.290197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.290197 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -21.992
Base-Backbone interact. energy: 0.441
local terms energy: -55.721330
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -102.114392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.114392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.114392 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -37.660
Base-Backbone interact. energy: -0.050
local terms energy: -64.373529
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -78.126317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.126317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.126317 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.794
local terms energy: -47.006091
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -83.226067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.226067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.226067 (E_RNA)
where:
Base-Base interactions energy: -33.432
where: short stacking energy: -27.266
Base-Backbone interact. energy: 2.021
local terms energy: -51.814513
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -77.633277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.633277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.633277 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -24.504
Base-Backbone interact. energy: -0.015
local terms energy: -46.741516
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -214.965164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.965164 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.414
local terms energy: -77.723983
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -213.288784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288784 (E_RNA)
where:
Base-Base interactions energy: -139.672
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.076
local terms energy: -73.540341
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -181.325016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.325016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.325016 (E_RNA)
where:
Base-Base interactions energy: -110.966
where: short stacking energy: -52.918
Base-Backbone interact. energy: -1.108
local terms energy: -69.251186
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -11.695
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -199.378041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.378041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.378041 (E_RNA)
where:
Base-Base interactions energy: -129.281
where: short stacking energy: -53.838
Base-Backbone interact. energy: -0.681
local terms energy: -69.416148
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -150.450338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.450338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.450338 (E_RNA)
where:
Base-Base interactions energy: -90.185
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.013
local terms energy: -60.251776
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -8.134
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -96.472754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472754 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.143
local terms energy: -58.996218
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -96.784340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784340 (E_RNA)
where:
Base-Base interactions energy: -49.518
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.133
local terms energy: -47.134015
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.835461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.835461 (E_RNA)
where:
Base-Base interactions energy: -28.284
where: short stacking energy: -28.284
Base-Backbone interact. energy: -0.213
local terms energy: -49.338717
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -84.114555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.114555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.114555 (E_RNA)
where:
Base-Base interactions energy: -27.435
where: short stacking energy: -27.435
Base-Backbone interact. energy: 1.353
local terms energy: -58.032543
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -77.067305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067305 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.133
local terms energy: -45.728945
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -215.317312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.317312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.317312 (E_RNA)
where:
Base-Base interactions energy: -139.130
where: short stacking energy: -71.856
Base-Backbone interact. energy: 0.362
local terms energy: -76.550192
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -220.749297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.749297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.749297 (E_RNA)
where:
Base-Base interactions energy: -139.488
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.022
local terms energy: -81.238870
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -200.550624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.550624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550624 (E_RNA)
where:
Base-Base interactions energy: -130.164
where: short stacking energy: -59.846
Base-Backbone interact. energy: -0.210
local terms energy: -70.177021
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -10.931
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: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -180.182116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.182116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.182116 (E_RNA)
where:
Base-Base interactions energy: -112.943
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.003
local terms energy: -67.236240
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.015
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: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -165.689368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.689368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.689368 (E_RNA)
where:
Base-Base interactions energy: -100.353
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.132
local terms energy: -65.204223
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -97.687159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.687159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.687159 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -37.785
Base-Backbone interact. energy: 0.108
local terms energy: -52.663743
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -94.794949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.794949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.794949 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -27.970
Base-Backbone interact. energy: -0.015
local terms energy: -55.422052
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -77.397891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397891 (E_RNA)
where:
Base-Base interactions energy: -28.172
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.340
local terms energy: -48.886105
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -0.278
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: 98
Temperature: 1.300000
Total energy: -75.795777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.795777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.795777 (E_RNA)
where:
Base-Base interactions energy: -21.457
where: short stacking energy: -18.316
Base-Backbone interact. energy: 1.772
local terms energy: -56.109853
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.117566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.117566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.117566 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -16.353
Base-Backbone interact. energy: -0.291
local terms energy: -41.901909
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -6.943
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -217.264925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.264925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.264925 (E_RNA)
where:
Base-Base interactions energy: -139.573
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.049
local terms energy: -77.642098
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.568
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: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -219.386785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.386785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.386785 (E_RNA)
where:
Base-Base interactions energy: -140.699
where: short stacking energy: -66.247
Base-Backbone interact. energy: 0.510
local terms energy: -79.198027
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -201.094058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.094058 (E_RNA)
where:
Base-Base interactions energy: -130.158
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.165
local terms energy: -70.771455
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -13.103
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: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -177.370493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.370493 (E_RNA)
where:
Base-Base interactions energy: -112.722
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.106
local terms energy: -64.542203
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -11.561
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: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -172.267056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.267056 (E_RNA)
where:
Base-Base interactions energy: -110.398
where: short stacking energy: -48.207
Base-Backbone interact. energy: -0.092
local terms energy: -61.777214
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -105.938732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938732 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -22.461
Base-Backbone interact. energy: -0.082
local terms energy: -50.575374
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -80.543826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.543826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.543826 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -22.376
Base-Backbone interact. energy: -0.074
local terms energy: -55.461557
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -85.593905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593905 (E_RNA)
where:
Base-Base interactions energy: -41.575
where: short stacking energy: -28.130
Base-Backbone interact. energy: 0.089
local terms energy: -44.107586
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -90.328867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.328867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.328867 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -25.199
Base-Backbone interact. energy: -0.147
local terms energy: -54.371896
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -78.290275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.290275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.290275 (E_RNA)
where:
Base-Base interactions energy: -38.901
where: short stacking energy: -25.164
Base-Backbone interact. energy: -0.097
local terms energy: -39.292469
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -222.762731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.762731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762731 (E_RNA)
where:
Base-Base interactions energy: -148.132
where: short stacking energy: -60.829
Base-Backbone interact. energy: -0.009
local terms energy: -74.621808
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -8.945
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -218.917241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917241 (E_RNA)
where:
Base-Base interactions energy: -138.617
where: short stacking energy: -70.940
Base-Backbone interact. energy: -0.045
local terms energy: -80.255162
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.420
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -215.576576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.576576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.576576 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.491
local terms energy: -78.170338
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.831
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: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -180.206479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.206479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.206479 (E_RNA)
where:
Base-Base interactions energy: -120.702
where: short stacking energy: -50.127
Base-Backbone interact. energy: -0.938
local terms energy: -58.566100
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -5.896
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: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -163.726982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.726982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.726982 (E_RNA)
where:
Base-Base interactions energy: -102.239
where: short stacking energy: -48.557
Base-Backbone interact. energy: -0.211
local terms energy: -61.276625
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -98.588063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.588063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.588063 (E_RNA)
where:
Base-Base interactions energy: -54.896
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.922
local terms energy: -42.769498
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: 0.699
tors. eta vs tors. theta energy: -7.912
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -89.154958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154958 (E_RNA)
where:
Base-Base interactions energy: -38.227
where: short stacking energy: -35.357
Base-Backbone interact. energy: -0.095
local terms energy: -50.832706
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -5.593
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.142634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142634 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.090
local terms energy: -58.875028
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -86.299463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299463 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -33.431
Base-Backbone interact. energy: -0.003
local terms energy: -47.020383
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -71.290418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.290418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.290418 (E_RNA)
where:
Base-Base interactions energy: -38.202
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.040
local terms energy: -33.047556
where:
bonds (distance) C4'-P energy: -5.648
bonds (distance) P-C4' energy: -6.047
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -5.715
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: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -210.187568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.187568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.187568 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.792
local terms energy: -79.247450
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.387
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: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -212.729909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729909 (E_RNA)
where:
Base-Base interactions energy: -134.680
where: short stacking energy: -66.308
Base-Backbone interact. energy: -0.018
local terms energy: -78.032067
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.101
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: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -193.176650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.176650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.176650 (E_RNA)
where:
Base-Base interactions energy: -126.201
where: short stacking energy: -53.960
Base-Backbone interact. energy: 0.002
local terms energy: -66.977838
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -172.623497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.623497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.623497 (E_RNA)
where:
Base-Base interactions energy: -106.534
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.005
local terms energy: -66.083665
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -13.361
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -194.802952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802952 (E_RNA)
where:
Base-Base interactions energy: -128.658
where: short stacking energy: -36.889
Base-Backbone interact. energy: -0.257
local terms energy: -65.887270
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -12.341
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: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -94.545008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545008 (E_RNA)
where:
Base-Base interactions energy: -43.888
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.222
local terms energy: -50.434378
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -87.458594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458594 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.206
local terms energy: -56.496758
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -78.991044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.991044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.991044 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.014
local terms energy: -50.813480
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -77.021512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.021512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.021512 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -20.076
Base-Backbone interact. energy: -0.537
local terms energy: -48.553537
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -71.096824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.096824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.096824 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.184
local terms energy: -46.886249
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: 2.062
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -222.555496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.555496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.555496 (E_RNA)
where:
Base-Base interactions energy: -138.063
where: short stacking energy: -71.445
Base-Backbone interact. energy: -0.731
local terms energy: -83.760949
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -213.291845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291845 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -61.218
Base-Backbone interact. energy: 0.833
local terms energy: -75.764287
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -174.845850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.845850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.845850 (E_RNA)
where:
Base-Base interactions energy: -111.241
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.105
local terms energy: -63.499977
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -200.460928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.460928 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.334
local terms energy: -69.339609
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -170.515596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.515596 (E_RNA)
where:
Base-Base interactions energy: -107.649
where: short stacking energy: -40.243
Base-Backbone interact. energy: -0.742
local terms energy: -62.124515
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -95.149051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.149051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.149051 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -35.509
Base-Backbone interact. energy: -0.032
local terms energy: -57.617046
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -89.365190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.365190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.365190 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.107
local terms energy: -56.930016
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -96.178782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.178782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.178782 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -25.230
Base-Backbone interact. energy: -0.010
local terms energy: -50.618766
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -4.644
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: 102
Temperature: 1.300000
Total energy: -75.598228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.598228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.598228 (E_RNA)
where:
Base-Base interactions energy: -23.514
where: short stacking energy: -23.514
Base-Backbone interact. energy: -0.082
local terms energy: -52.002545
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -77.599970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599970 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.052
local terms energy: -49.987638
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -221.047455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.047455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.047455 (E_RNA)
where:
Base-Base interactions energy: -140.648
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.135
local terms energy: -80.263644
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -217.955674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.955674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.955674 (E_RNA)
where:
Base-Base interactions energy: -141.325
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.241
local terms energy: -76.389831
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -182.270067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.270067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.270067 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.009
local terms energy: -58.032210
where:
bonds (distance) C4'-P energy: -4.456
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -178.929190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.929190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.929190 (E_RNA)
where:
Base-Base interactions energy: -116.262
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.014
local terms energy: -62.652580
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -178.865334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.865334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.865334 (E_RNA)
where:
Base-Base interactions energy: -108.915
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.018
local terms energy: -69.931802
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -106.088842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.088842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.088842 (E_RNA)
where:
Base-Base interactions energy: -55.717
where: short stacking energy: -35.571
Base-Backbone interact. energy: -0.211
local terms energy: -50.160104
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -5.459
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -93.977769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.977769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.977769 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.213
local terms energy: -56.369370
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -81.328763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328763 (E_RNA)
where:
Base-Base interactions energy: -28.549
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.109
local terms energy: -52.671552
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -79.715487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.715487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.715487 (E_RNA)
where:
Base-Base interactions energy: -17.633
where: short stacking energy: -16.644
Base-Backbone interact. energy: -0.021
local terms energy: -62.061319
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -0.529
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -81.381471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381471 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -28.064
Base-Backbone interact. energy: 1.259
local terms energy: -39.766051
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -218.278204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.278204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.278204 (E_RNA)
where:
Base-Base interactions energy: -136.830
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.008
local terms energy: -81.440682
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -20.961
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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -218.806165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.806165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.806165 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -64.932
Base-Backbone interact. energy: 1.908
local terms energy: -83.189741
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -169.824325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.824325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.824325 (E_RNA)
where:
Base-Base interactions energy: -108.840
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.064
local terms energy: -60.921052
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -14.187
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: 104
Temperature: 1.050000
Total energy: -186.506953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.506953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.506953 (E_RNA)
where:
Base-Base interactions energy: -112.787
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.086
local terms energy: -73.633442
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -182.218111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.218111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.218111 (E_RNA)
where:
Base-Base interactions energy: -107.137
where: short stacking energy: -43.233
Base-Backbone interact. energy: -0.218
local terms energy: -74.863233
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -95.779013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779013 (E_RNA)
where:
Base-Base interactions energy: -44.637
where: short stacking energy: -36.415
Base-Backbone interact. energy: 1.966
local terms energy: -53.108330
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -78.585354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585354 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.264
local terms energy: -44.001606
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -80.280968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.280968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.280968 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -22.010
Base-Backbone interact. energy: -0.156
local terms energy: -47.170036
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -1.412
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: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -74.963324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.963324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.963324 (E_RNA)
where:
Base-Base interactions energy: -29.019
where: short stacking energy: -25.939
Base-Backbone interact. energy: -0.618
local terms energy: -45.326958
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -75.944964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.944964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.944964 (E_RNA)
where:
Base-Base interactions energy: -23.634
where: short stacking energy: -20.891
Base-Backbone interact. energy: -0.073
local terms energy: -52.237980
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -218.532075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532075 (E_RNA)
where:
Base-Base interactions energy: -138.653
where: short stacking energy: -71.425
Base-Backbone interact. energy: -0.044
local terms energy: -79.834314
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -23.810
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: 105
Temperature: 0.950000
Total energy: -190.208370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.208370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.208370 (E_RNA)
where:
Base-Base interactions energy: -120.348
where: short stacking energy: -62.371
Base-Backbone interact. energy: 0.026
local terms energy: -69.886718
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -6.613
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -207.457287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.457287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.457287 (E_RNA)
where:
Base-Base interactions energy: -125.007
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.612
local terms energy: -81.837451
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -19.264
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: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -184.517035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517035 (E_RNA)
where:
Base-Base interactions energy: -111.500
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.023
local terms energy: -72.994251
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.510
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: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -182.685666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.685666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.685666 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.012
local terms energy: -66.543873
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.886
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: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -92.305945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.305945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.305945 (E_RNA)
where:
Base-Base interactions energy: -37.478
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.006
local terms energy: -54.822657
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -89.165523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.165523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.165523 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.047
local terms energy: -55.303539
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.743
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: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -79.733721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.733721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.733721 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.282
local terms energy: -48.595926
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -79.595299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.595299 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.029
local terms energy: -45.065773
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -9.138
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -67.550502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.550502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.550502 (E_RNA)
where:
Base-Base interactions energy: -17.875
where: short stacking energy: -15.588
Base-Backbone interact. energy: -0.373
local terms energy: -49.302740
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -10.881
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -188.522511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522511 (E_RNA)
where:
Base-Base interactions energy: -124.822
where: short stacking energy: -56.755
Base-Backbone interact. energy: -1.153
local terms energy: -62.548197
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -219.787937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.787937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.787937 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.652
local terms energy: -77.456758
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -22.790
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: 106
Temperature: 1.000000
Total energy: -207.161775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161775 (E_RNA)
where:
Base-Base interactions energy: -134.088
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.399
local terms energy: -72.674852
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -16.490
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: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -178.370109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.370109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.370109 (E_RNA)
where:
Base-Base interactions energy: -107.001
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.014
local terms energy: -71.355572
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -15.407
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: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -182.788126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.788126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.788126 (E_RNA)
where:
Base-Base interactions energy: -108.207
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.013
local terms energy: -74.568958
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -88.585022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.585022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.585022 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -23.425
Base-Backbone interact. energy: -0.098
local terms energy: -56.612025
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -97.709725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.709725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.709725 (E_RNA)
where:
Base-Base interactions energy: -51.559
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.379
local terms energy: -45.771664
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -83.822046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.822046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.822046 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -23.025
Base-Backbone interact. energy: -0.202
local terms energy: -51.289206
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -81.568833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.568833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.568833 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -27.411
Base-Backbone interact. energy: 0.262
local terms energy: -54.419832
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -74.675035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.675035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.675035 (E_RNA)
where:
Base-Base interactions energy: -27.585
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.116
local terms energy: -46.974185
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -189.578060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.578060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.578060 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.032
local terms energy: -69.631340
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -11.746
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -212.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.488953 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.056
local terms energy: -79.076855
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -24.400
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -206.978894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.978894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.978894 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.017
local terms energy: -72.769427
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -180.455206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455206 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.009
local terms energy: -66.267957
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -170.394251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.394251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.394251 (E_RNA)
where:
Base-Base interactions energy: -104.604
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.009
local terms energy: -65.781430
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -103.199304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199304 (E_RNA)
where:
Base-Base interactions energy: -36.906
where: short stacking energy: -34.158
Base-Backbone interact. energy: -0.842
local terms energy: -65.451350
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -81.252183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.252183 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -26.178
Base-Backbone interact. energy: 0.710
local terms energy: -53.191830
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: 0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.045104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.045104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.045104 (E_RNA)
where:
Base-Base interactions energy: -41.401
where: short stacking energy: -41.401
Base-Backbone interact. energy: -0.090
local terms energy: -42.554206
where:
bonds (distance) C4'-P energy: -5.602
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -95.441502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.441502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.441502 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.116
local terms energy: -58.324099
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -65.879833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.879833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.879833 (E_RNA)
where:
Base-Base interactions energy: -23.635
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.263
local terms energy: -41.982431
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -215.649834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.649834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.649834 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.502
local terms energy: -77.483823
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -18.731
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: 108
Temperature: 0.950000
Total energy: -180.938761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.938761 (E_RNA)
where:
Base-Base interactions energy: -107.752
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.021
local terms energy: -73.165812
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.230
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: 108
Temperature: 1.000000
Total energy: -208.310807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310807 (E_RNA)
where:
Base-Base interactions energy: -129.894
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.011
local terms energy: -78.405313
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -21.687
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: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -166.892756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.892756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.892756 (E_RNA)
where:
Base-Base interactions energy: -106.139
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.096
local terms energy: -60.657847
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -159.933881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.933881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.933881 (E_RNA)
where:
Base-Base interactions energy: -96.175
where: short stacking energy: -51.649
Base-Backbone interact. energy: 0.874
local terms energy: -64.632536
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -14.906
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -99.190103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.190103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.190103 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.234
local terms energy: -58.389582
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -88.969416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.969416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.969416 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.074
local terms energy: -59.476466
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -77.811551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.811551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.811551 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.105
local terms energy: -42.537572
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -78.449372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.449372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.449372 (E_RNA)
where:
Base-Base interactions energy: -34.414
where: short stacking energy: -20.748
Base-Backbone interact. energy: -0.200
local terms energy: -43.835211
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -8.158
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -82.271248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.271248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.271248 (E_RNA)
where:
Base-Base interactions energy: -33.178
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.138
local terms energy: -48.955592
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -223.351458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.351458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.351458 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.022
local terms energy: -83.118189
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -214.494228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.494228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.494228 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.112
local terms energy: -82.186154
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -187.606371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606371 (E_RNA)
where:
Base-Base interactions energy: -117.138
where: short stacking energy: -50.708
Base-Backbone interact. energy: -0.421
local terms energy: -70.047009
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -172.719005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.719005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.719005 (E_RNA)
where:
Base-Base interactions energy: -105.064
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.006
local terms energy: -67.649499
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -15.561
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: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -168.071658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.071658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.071658 (E_RNA)
where:
Base-Base interactions energy: -94.601
where: short stacking energy: -42.500
Base-Backbone interact. energy: 1.062
local terms energy: -74.532888
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -17.283
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: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -102.925361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.925361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.925361 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -41.064
Base-Backbone interact. energy: -0.135
local terms energy: -61.726565
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -102.693829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.693829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.693829 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -29.754
Base-Backbone interact. energy: -0.137
local terms energy: -57.044345
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -77.463251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.463251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.463251 (E_RNA)
where:
Base-Base interactions energy: -23.859
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.073
local terms energy: -53.531004
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -71.508998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.508998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.508998 (E_RNA)
where:
Base-Base interactions energy: -21.598
where: short stacking energy: -7.006
Base-Backbone interact. energy: -0.167
local terms energy: -49.743639
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: 1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -68.283287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.283287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.283287 (E_RNA)
where:
Base-Base interactions energy: -12.088
where: short stacking energy: -12.054
Base-Backbone interact. energy: 0.399
local terms energy: -56.594013
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -210.315621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.315621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.315621 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.703
local terms energy: -74.648353
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -210.685220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.685220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.685220 (E_RNA)
where:
Base-Base interactions energy: -134.308
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.186
local terms energy: -76.190675
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.410
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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -176.007683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.007683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.007683 (E_RNA)
where:
Base-Base interactions energy: -111.878
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.079
local terms energy: -64.051226
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -160.395037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.395037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.395037 (E_RNA)
where:
Base-Base interactions energy: -94.374
where: short stacking energy: -48.452
Base-Backbone interact. energy: 0.173
local terms energy: -66.193899
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -168.734136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.734136 (E_RNA)
where:
Base-Base interactions energy: -101.828
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.489
local terms energy: -66.417841
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -92.489442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.489442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.489442 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.058
local terms energy: -51.598603
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -82.304823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.304823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.304823 (E_RNA)
where:
Base-Base interactions energy: -26.301
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.284
local terms energy: -55.719408
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -82.588886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.588886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.588886 (E_RNA)
where:
Base-Base interactions energy: -25.220
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.649
local terms energy: -56.719737
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -81.715016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.715016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.715016 (E_RNA)
where:
Base-Base interactions energy: -41.195
where: short stacking energy: -30.683
Base-Backbone interact. energy: 1.115
local terms energy: -41.635281
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: 3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -71.223409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.223409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.223409 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -23.297
Base-Backbone interact. energy: -0.383
local terms energy: -47.128613
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -216.391181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391181 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.013
local terms energy: -83.157406
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -172.595989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.595989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.595989 (E_RNA)
where:
Base-Base interactions energy: -107.172
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.151
local terms energy: -65.273618
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -203.243377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.243377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243377 (E_RNA)
where:
Base-Base interactions energy: -131.238
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.789
local terms energy: -71.216102
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -174.754457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.754457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.754457 (E_RNA)
where:
Base-Base interactions energy: -109.605
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.132
local terms energy: -65.017493
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -157.406994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.406994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.406994 (E_RNA)
where:
Base-Base interactions energy: -94.198
where: short stacking energy: -42.807
Base-Backbone interact. energy: 0.139
local terms energy: -63.347343
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -8.419
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: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -96.182662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.182662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.182662 (E_RNA)
where:
Base-Base interactions energy: -48.825
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.027
local terms energy: -47.330701
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -5.621
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: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -96.734257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.734257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.734257 (E_RNA)
where:
Base-Base interactions energy: -44.867
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.086
local terms energy: -51.780755
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -80.257447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.257447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.257447 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -27.605
Base-Backbone interact. energy: 0.650
local terms energy: -48.737208
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -79.286619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.286619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.286619 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -23.727
Base-Backbone interact. energy: -0.411
local terms energy: -50.225984
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -80.801697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.801697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.801697 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.160
local terms energy: -45.185575
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -220.696182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.696182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.696182 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.032
local terms energy: -79.191846
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -12.914
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: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -176.976447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.976447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976447 (E_RNA)
where:
Base-Base interactions energy: -111.634
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.188
local terms energy: -65.154852
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -12.673
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: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -217.701541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.701541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.701541 (E_RNA)
where:
Base-Base interactions energy: -132.384
where: short stacking energy: -62.643
Base-Backbone interact. energy: -1.110
local terms energy: -84.207362
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -22.046
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: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -182.079388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.079388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.079388 (E_RNA)
where:
Base-Base interactions energy: -112.573
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.025
local terms energy: -69.481493
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -6.430
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: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -172.182089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.182089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.182089 (E_RNA)
where:
Base-Base interactions energy: -108.056
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.432
local terms energy: -63.694129
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -10.954
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: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -102.498074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498074 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -41.323
Base-Backbone interact. energy: -0.159
local terms energy: -61.016229
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -9.746
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: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -85.948682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.948682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.948682 (E_RNA)
where:
Base-Base interactions energy: -33.182
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.253
local terms energy: -52.513813
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -83.572217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.572217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.572217 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -18.976
Base-Backbone interact. energy: -0.135
local terms energy: -49.940006
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -76.748077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.748077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.748077 (E_RNA)
where:
Base-Base interactions energy: -22.133
where: short stacking energy: -22.082
Base-Backbone interact. energy: 1.029
local terms energy: -55.644113
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -71.812623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.812623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.812623 (E_RNA)
where:
Base-Base interactions energy: -24.296
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.249
local terms energy: -47.266994
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -212.846668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.846668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.846668 (E_RNA)
where:
Base-Base interactions energy: -135.892
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.191
local terms energy: -76.764092
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.994
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: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -211.011447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.011447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.011447 (E_RNA)
where:
Base-Base interactions energy: -132.453
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.087
local terms energy: -78.470946
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -16.974
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: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -188.611510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.611510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.611510 (E_RNA)
where:
Base-Base interactions energy: -122.149
where: short stacking energy: -55.152
Base-Backbone interact. energy: 3.029
local terms energy: -69.492096
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -179.508870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.508870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.508870 (E_RNA)
where:
Base-Base interactions energy: -108.018
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.259
local terms energy: -71.231764
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -176.113675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.113675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.113675 (E_RNA)
where:
Base-Base interactions energy: -114.077
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.008
local terms energy: -62.028420
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -7.704
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -90.765598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765598 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.099
local terms energy: -58.042217
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -83.041939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.041939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.041939 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -18.474
Base-Backbone interact. energy: -0.163
local terms energy: -48.709089
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: 1.517
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: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -85.722481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722481 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.168
local terms energy: -54.950281
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.735
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: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -74.590509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.590509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.590509 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -26.151
Base-Backbone interact. energy: 0.352
local terms energy: -48.791181
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -77.029025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.029025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.029025 (E_RNA)
where:
Base-Base interactions energy: -26.881
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.167
local terms energy: -49.980505
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -213.277946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.277946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.277946 (E_RNA)
where:
Base-Base interactions energy: -139.388
where: short stacking energy: -67.317
Base-Backbone interact. energy: 0.032
local terms energy: -73.921586
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -207.827383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.827383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.827383 (E_RNA)
where:
Base-Base interactions energy: -133.181
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.550
local terms energy: -74.095442
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -192.425898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.425898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.425898 (E_RNA)
where:
Base-Base interactions energy: -120.455
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.004
local terms energy: -71.966845
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -18.802
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: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -180.986887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.986887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.986887 (E_RNA)
where:
Base-Base interactions energy: -110.517
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.069
local terms energy: -70.400663
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -172.136739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.136739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.136739 (E_RNA)
where:
Base-Base interactions energy: -104.063
where: short stacking energy: -51.564
Base-Backbone interact. energy: -0.901
local terms energy: -67.172708
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -89.863823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.863823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.863823 (E_RNA)
where:
Base-Base interactions energy: -36.620
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.401
local terms energy: -52.843019
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -85.002747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002747 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.152
local terms energy: -55.988618
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -112.332313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.332313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.332313 (E_RNA)
where:
Base-Base interactions energy: -63.800
where: short stacking energy: -16.665
Base-Backbone interact. energy: -0.070
local terms energy: -48.461585
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: 1.412
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: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -81.925879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.925879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.925879 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -18.283
Base-Backbone interact. energy: -0.639
local terms energy: -45.917709
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: 0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -79.564804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.564804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.564804 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -16.701
Base-Backbone interact. energy: 0.501
local terms energy: -44.570865
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: 1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -220.206221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.206221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.206221 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.029
local terms energy: -79.296595
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -213.566554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566554 (E_RNA)
where:
Base-Base interactions energy: -134.650
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.003
local terms energy: -78.913542
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -9.816
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -199.332856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.332856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.332856 (E_RNA)
where:
Base-Base interactions energy: -129.465
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.102
local terms energy: -69.765934
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -7.879
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -185.829062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.829062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.829062 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.005
local terms energy: -70.923616
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -160.173798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.173798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.173798 (E_RNA)
where:
Base-Base interactions energy: -92.177
where: short stacking energy: -47.330
Base-Backbone interact. energy: 1.566
local terms energy: -69.562677
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -116.902929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.902929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.902929 (E_RNA)
where:
Base-Base interactions energy: -53.181
where: short stacking energy: -44.911
Base-Backbone interact. energy: -0.186
local terms energy: -63.535996
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -7.956
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -97.424116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.424116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.424116 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -30.991
Base-Backbone interact. energy: -0.040
local terms energy: -53.489295
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -86.143405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.143405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.143405 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.095
local terms energy: -56.446946
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.292576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.292576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.292576 (E_RNA)
where:
Base-Base interactions energy: -28.078
where: short stacking energy: -27.575
Base-Backbone interact. energy: 2.183
local terms energy: -52.397218
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -81.958670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.958670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.958670 (E_RNA)
where:
Base-Base interactions energy: -30.269
where: short stacking energy: -20.551
Base-Backbone interact. energy: -0.273
local terms energy: -51.416922
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -1.044
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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -220.233504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.233504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.233504 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -64.030
Base-Backbone interact. energy: 0.063
local terms energy: -78.815594
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -220.772475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.772475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.772475 (E_RNA)
where:
Base-Base interactions energy: -135.880
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.010
local terms energy: -84.882499
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -187.319897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.319897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.319897 (E_RNA)
where:
Base-Base interactions energy: -116.800
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.459
local terms energy: -70.060397
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -18.783
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -196.205734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.205734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.205734 (E_RNA)
where:
Base-Base interactions energy: -127.170
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.003
local terms energy: -69.033038
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -11.232
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: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -165.758824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.758824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.758824 (E_RNA)
where:
Base-Base interactions energy: -102.840
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.132
local terms energy: -62.787255
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.626
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: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -95.947258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.947258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.947258 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.148
local terms energy: -52.996226
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -110.427037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.427037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.427037 (E_RNA)
where:
Base-Base interactions energy: -56.830
where: short stacking energy: -34.366
Base-Backbone interact. energy: -0.207
local terms energy: -53.390325
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -101.697844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.697844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.697844 (E_RNA)
where:
Base-Base interactions energy: -54.010
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.240
local terms energy: -47.448692
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -86.411232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.411232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.411232 (E_RNA)
where:
Base-Base interactions energy: -27.590
where: short stacking energy: -24.991
Base-Backbone interact. energy: -0.038
local terms energy: -58.783428
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -8.874
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: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -80.540008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.540008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.540008 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -21.891
Base-Backbone interact. energy: -0.809
local terms energy: -49.583330
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -221.208628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.208628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.208628 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.046
local terms energy: -80.591807
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.608
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: 117
Temperature: 0.950000
Total energy: -215.343883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.343883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.343883 (E_RNA)
where:
Base-Base interactions energy: -132.326
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.027
local terms energy: -82.990598
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -11.969
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: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -183.919444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.919444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.919444 (E_RNA)
where:
Base-Base interactions energy: -111.704
where: short stacking energy: -55.238
Base-Backbone interact. energy: -0.243
local terms energy: -71.972282
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.698
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: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -173.601330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.601330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.601330 (E_RNA)
where:
Base-Base interactions energy: -111.375
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.408
local terms energy: -61.819157
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -11.381
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: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -180.892250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.892250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.892250 (E_RNA)
where:
Base-Base interactions energy: -110.188
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.133
local terms energy: -70.571354
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.447
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: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -80.586089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.586089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.586089 (E_RNA)
where:
Base-Base interactions energy: -26.432
where: short stacking energy: -25.870
Base-Backbone interact. energy: 0.759
local terms energy: -54.912829
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -85.100691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.100691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.100691 (E_RNA)
where:
Base-Base interactions energy: -28.165
where: short stacking energy: -28.165
Base-Backbone interact. energy: -0.224
local terms energy: -56.711415
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -107.783638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.783638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.783638 (E_RNA)
where:
Base-Base interactions energy: -61.482
where: short stacking energy: -26.402
Base-Backbone interact. energy: -0.246
local terms energy: -46.055085
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -0.603
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: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -83.411233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411233 (E_RNA)
where:
Base-Base interactions energy: -28.537
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.106
local terms energy: -54.768349
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -8.064
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: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -75.374945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.374945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.374945 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -23.346
Base-Backbone interact. energy: 1.867
local terms energy: -50.123793
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -219.284288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.284288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.284288 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.177
local terms energy: -77.304436
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -22.766
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: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -205.051168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.051168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.051168 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.019
local terms energy: -69.479297
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -191.946084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.946084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.946084 (E_RNA)
where:
Base-Base interactions energy: -120.729
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.146
local terms energy: -71.070874
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -8.662
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: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -162.679105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.679105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.679105 (E_RNA)
where:
Base-Base interactions energy: -99.661
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.039
local terms energy: -62.979045
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -10.826
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: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -169.926572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.926572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.926572 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.155
local terms energy: -71.427809
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -6.416
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: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -109.164546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.164546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.164546 (E_RNA)
where:
Base-Base interactions energy: -45.532
where: short stacking energy: -43.676
Base-Backbone interact. energy: 0.277
local terms energy: -63.909427
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -94.525890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.525890 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.093
local terms energy: -50.820883
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -79.644539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.644539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.644539 (E_RNA)
where:
Base-Base interactions energy: -29.633
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.130
local terms energy: -49.881128
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -99.565600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.565600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.565600 (E_RNA)
where:
Base-Base interactions energy: -56.326
where: short stacking energy: -16.837
Base-Backbone interact. energy: 2.231
local terms energy: -45.470325
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -79.191946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.191946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.191946 (E_RNA)
where:
Base-Base interactions energy: -26.469
where: short stacking energy: -23.744
Base-Backbone interact. energy: 0.232
local terms energy: -52.954450
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -8.771
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: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -221.472443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.472443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.472443 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.042
local terms energy: -83.694598
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -20.322
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: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -210.438383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.438383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.438383 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -67.834
Base-Backbone interact. energy: -0.811
local terms energy: -76.875413
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -182.008275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008275 (E_RNA)
where:
Base-Base interactions energy: -113.200
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.255
local terms energy: -68.553904
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -170.754116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.754116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.754116 (E_RNA)
where:
Base-Base interactions energy: -106.031
where: short stacking energy: -52.067
Base-Backbone interact. energy: 1.592
local terms energy: -66.314857
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -12.935
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: 119
Temperature: 1.100000
Total energy: -166.436425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.436425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.436425 (E_RNA)
where:
Base-Base interactions energy: -101.062
where: short stacking energy: -44.541
Base-Backbone interact. energy: -0.296
local terms energy: -65.078741
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -101.805052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.805052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.805052 (E_RNA)
where:
Base-Base interactions energy: -44.797
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.107
local terms energy: -56.900982
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -99.155676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.155676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.155676 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.007
local terms energy: -50.180878
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -162.917667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.917667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.917667 (E_RNA)
where:
Base-Base interactions energy: -106.562
where: short stacking energy: -37.533
Base-Backbone interact. energy: -1.107
local terms energy: -55.248644
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -80.275242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.275242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.275242 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.477
local terms energy: -49.542073
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -8.329
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -68.559756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.559756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.559756 (E_RNA)
where:
Base-Base interactions energy: -20.745
where: short stacking energy: -20.795
Base-Backbone interact. energy: -0.340
local terms energy: -47.474861
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -221.739845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.739845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.739845 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.002
local terms energy: -78.000528
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -212.874097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.874097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.874097 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.027
local terms energy: -77.845185
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.307
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: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -191.301029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.301029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.301029 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -48.393
Base-Backbone interact. energy: 1.021
local terms energy: -73.531060
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -175.296906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.296906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.296906 (E_RNA)
where:
Base-Base interactions energy: -111.321
where: short stacking energy: -49.829
Base-Backbone interact. energy: -0.020
local terms energy: -63.956012
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -148.500093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.500093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.500093 (E_RNA)
where:
Base-Base interactions energy: -91.112
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.011
local terms energy: -57.377056
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -102.678317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.678317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.678317 (E_RNA)
where:
Base-Base interactions energy: -50.881
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.011
local terms energy: -51.786869
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -91.372380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.372380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.372380 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -24.025
Base-Backbone interact. energy: -1.382
local terms energy: -49.269732
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: 0.513
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: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -95.755048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.755048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.755048 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.162
local terms energy: -53.241142
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -76.005783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.005783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.005783 (E_RNA)
where:
Base-Base interactions energy: -27.921
where: short stacking energy: -27.092
Base-Backbone interact. energy: -0.148
local terms energy: -47.936683
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -1.898
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -73.205696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.205696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.205696 (E_RNA)
where:
Base-Base interactions energy: -31.428
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.842
local terms energy: -40.935866
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -6.801
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -218.272342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.272342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.272342 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -72.576
Base-Backbone interact. energy: -0.005
local terms energy: -78.557727
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -196.783162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.783162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.783162 (E_RNA)
where:
Base-Base interactions energy: -130.512
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.462
local terms energy: -65.809557
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -17.404
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: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -215.407021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.407021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.407021 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.002
local terms energy: -79.030383
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -12.387
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: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -177.737339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.737339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.737339 (E_RNA)
where:
Base-Base interactions energy: -107.703
where: short stacking energy: -48.935
Base-Backbone interact. energy: -0.001
local terms energy: -70.033022
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.595
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: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -151.940115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.940115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.940115 (E_RNA)
where:
Base-Base interactions energy: -90.088
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.218
local terms energy: -61.633936
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -111.942608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.942608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.942608 (E_RNA)
where:
Base-Base interactions energy: -57.289
where: short stacking energy: -33.124
Base-Backbone interact. energy: -0.437
local terms energy: -54.216974
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -79.823828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.823828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.823828 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -26.100
Base-Backbone interact. energy: -1.477
local terms energy: -51.435984
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -72.297915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.297915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.297915 (E_RNA)
where:
Base-Base interactions energy: -19.045
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.262
local terms energy: -52.990682
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -82.677177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677177 (E_RNA)
where:
Base-Base interactions energy: -49.016
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.143
local terms energy: -33.517849
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -1.529
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -71.293240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.293240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.293240 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -22.732
Base-Backbone interact. energy: -0.110
local terms energy: -42.141778
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -208.003753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.003753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.003753 (E_RNA)
where:
Base-Base interactions energy: -132.077
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.136
local terms energy: -75.791193
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -220.967971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.967971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.967971 (E_RNA)
where:
Base-Base interactions energy: -145.263
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.143
local terms energy: -75.562228
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -209.591139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.591139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.591139 (E_RNA)
where:
Base-Base interactions energy: -129.593
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.034
local terms energy: -79.964134
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -185.533254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.533254 (E_RNA)
where:
Base-Base interactions energy: -107.929
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.002
local terms energy: -77.601655
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -11.925
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: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -135.297707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.297707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.297707 (E_RNA)
where:
Base-Base interactions energy: -77.210
where: short stacking energy: -41.401
Base-Backbone interact. energy: -0.177
local terms energy: -57.910883
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -12.597
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: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -93.192303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.192303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.192303 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -33.830
Base-Backbone interact. energy: 0.740
local terms energy: -59.438862
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -84.870766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870766 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.115
local terms energy: -47.225172
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -84.104006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.104006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.104006 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.002
local terms energy: -54.250666
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -8.124
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: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -69.745454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.745454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.745454 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -11.256
Base-Backbone interact. energy: 0.203
local terms energy: -39.464169
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.127
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: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -68.609685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.609685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.609685 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -15.052
Base-Backbone interact. energy: -1.033
local terms energy: -43.992169
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: 1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -206.736157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736157 (E_RNA)
where:
Base-Base interactions energy: -132.563
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.036
local terms energy: -74.136769
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -216.424650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.424650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.424650 (E_RNA)
where:
Base-Base interactions energy: -143.200
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.743
local terms energy: -72.481905
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -19.030
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: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -205.994506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.994506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.994506 (E_RNA)
where:
Base-Base interactions energy: -130.400
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.991
local terms energy: -74.604158
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.287
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: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -178.056428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.056428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.056428 (E_RNA)
where:
Base-Base interactions energy: -112.450
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.002
local terms energy: -65.604670
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -143.508169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.508169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.508169 (E_RNA)
where:
Base-Base interactions energy: -76.619
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.165
local terms energy: -66.724153
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -11.650
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: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -91.770517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770517 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.044
local terms energy: -56.539913
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -9.262
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: 123
Temperature: 1.200000
Total energy: -90.996586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.996586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.996586 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -20.986
Base-Backbone interact. energy: -0.099
local terms energy: -50.233242
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -82.977933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977933 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.107
local terms energy: -45.962552
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -0.020
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: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.126241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126241 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.092
local terms energy: -49.195864
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -75.568778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.568778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.568778 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -12.822
Base-Backbone interact. energy: -1.150
local terms energy: -47.603258
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -219.510089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.510089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.510089 (E_RNA)
where:
Base-Base interactions energy: -141.501
where: short stacking energy: -68.660
Base-Backbone interact. energy: -0.020
local terms energy: -77.989152
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -188.686555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.686555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.686555 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.005
local terms energy: -70.004093
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -15.512
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: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -192.111332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.111332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.111332 (E_RNA)
where:
Base-Base interactions energy: -121.186
where: short stacking energy: -51.422
Base-Backbone interact. energy: -0.162
local terms energy: -70.763600
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -14.897
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: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -172.096859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.096859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.096859 (E_RNA)
where:
Base-Base interactions energy: -107.190
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.023
local terms energy: -64.883538
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -161.346891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.346891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.346891 (E_RNA)
where:
Base-Base interactions energy: -94.296
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.088
local terms energy: -66.962973
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -87.287065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287065 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.021
local terms energy: -56.753673
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -7.550
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: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -81.718319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.718319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.718319 (E_RNA)
where:
Base-Base interactions energy: -25.939
where: short stacking energy: -20.557
Base-Backbone interact. energy: -0.136
local terms energy: -55.643633
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -90.517210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517210 (E_RNA)
where:
Base-Base interactions energy: -45.720
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.025
local terms energy: -44.771832
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -6.805
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -75.881358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.881358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.881358 (E_RNA)
where:
Base-Base interactions energy: -20.773
where: short stacking energy: -20.773
Base-Backbone interact. energy: -0.083
local terms energy: -55.026120
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -67.079860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.079860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.079860 (E_RNA)
where:
Base-Base interactions energy: -20.275
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.894
local terms energy: -45.910427
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -222.156093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156093 (E_RNA)
where:
Base-Base interactions energy: -139.119
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.003
local terms energy: -83.033999
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -11.149
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: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -197.853211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.853211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.853211 (E_RNA)
where:
Base-Base interactions energy: -119.862
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.093
local terms energy: -77.898248
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -181.166907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.166907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.166907 (E_RNA)
where:
Base-Base interactions energy: -111.977
where: short stacking energy: -50.138
Base-Backbone interact. energy: 0.270
local terms energy: -69.459844
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -18.198
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: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -167.135549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.135549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.135549 (E_RNA)
where:
Base-Base interactions energy: -111.642
where: short stacking energy: -48.733
Base-Backbone interact. energy: -0.161
local terms energy: -55.333005
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -10.555
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: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -162.120723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.120723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.120723 (E_RNA)
where:
Base-Base interactions energy: -102.422
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.288
local terms energy: -59.410768
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -88.937405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.937405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.937405 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.005
local terms energy: -52.824091
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -83.014918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014918 (E_RNA)
where:
Base-Base interactions energy: -24.090
where: short stacking energy: -24.090
Base-Backbone interact. energy: -0.138
local terms energy: -58.787282
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -84.509143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509143 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -23.884
Base-Backbone interact. energy: -0.091
local terms energy: -50.959927
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 1.255
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: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -87.365868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365868 (E_RNA)
where:
Base-Base interactions energy: -43.031
where: short stacking energy: -31.407
Base-Backbone interact. energy: 0.448
local terms energy: -44.783249
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -81.933417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.933417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.933417 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.339
local terms energy: -49.560151
where:
bonds (distance) C4'-P energy: -6.209
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -7.525
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: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -216.041140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041140 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -69.095
Base-Backbone interact. energy: 2.886
local terms energy: -80.485016
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -22.758
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: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -209.690330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.690330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.690330 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.050
local terms energy: -68.332641
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.831
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: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -183.800607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.800607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800607 (E_RNA)
where:
Base-Base interactions energy: -112.820
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.110
local terms energy: -70.871392
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.586
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: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -178.540021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.540021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.540021 (E_RNA)
where:
Base-Base interactions energy: -109.843
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.025
local terms energy: -68.671843
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -173.631532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.631532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.631532 (E_RNA)
where:
Base-Base interactions energy: -111.972
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.017
local terms energy: -61.642153
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -86.336866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.336866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.336866 (E_RNA)
where:
Base-Base interactions energy: -32.555
where: short stacking energy: -28.847
Base-Backbone interact. energy: 0.714
local terms energy: -54.495927
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -8.459
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: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -75.224289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.224289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.224289 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -22.829
Base-Backbone interact. energy: -0.217
local terms energy: -44.693541
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -4.351
flat angles P-C4'-P energy: -12.290
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: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -83.534843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534843 (E_RNA)
where:
Base-Base interactions energy: -30.808
where: short stacking energy: -29.844
Base-Backbone interact. energy: 2.830
local terms energy: -55.557282
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -95.515388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.515388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.515388 (E_RNA)
where:
Base-Base interactions energy: -43.912
where: short stacking energy: -22.548
Base-Backbone interact. energy: 1.198
local terms energy: -52.801849
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -86.074703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.074703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.074703 (E_RNA)
where:
Base-Base interactions energy: -40.103
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.684
local terms energy: -45.287747
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -215.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929594 (E_RNA)
where:
Base-Base interactions energy: -141.240
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.038
local terms energy: -74.651973
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -171.634528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.634528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.634528 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.086
local terms energy: -55.655211
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -194.418193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.418193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.418193 (E_RNA)
where:
Base-Base interactions energy: -128.402
where: short stacking energy: -54.072
Base-Backbone interact. energy: 0.574
local terms energy: -66.590401
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -167.717199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717199 (E_RNA)
where:
Base-Base interactions energy: -103.398
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.049
local terms energy: -64.270467
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -161.286737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.286737 (E_RNA)
where:
Base-Base interactions energy: -98.900
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.045
local terms energy: -62.342014
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -95.982816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.982816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.982816 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -48.392
Base-Backbone interact. energy: -0.099
local terms energy: -47.492228
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -9.119
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: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -85.449385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449385 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.071
local terms energy: -51.206463
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -92.144177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144177 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.399
local terms energy: -54.501198
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -74.530872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.530872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.530872 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -13.887
Base-Backbone interact. energy: -1.352
local terms energy: -39.585870
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: 4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -77.323946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.323946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.323946 (E_RNA)
where:
Base-Base interactions energy: -29.289
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.260
local terms energy: -47.774960
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -10.344
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -221.446138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.446138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.446138 (E_RNA)
where:
Base-Base interactions energy: -144.641
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.007
local terms energy: -76.797753
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.703
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: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -192.162474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.162474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.162474 (E_RNA)
where:
Base-Base interactions energy: -126.264
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.012
local terms energy: -65.887086
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -5.064
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -205.634301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.634301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.634301 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.246
local terms energy: -75.195954
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -155.851727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.851727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.851727 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.134
local terms energy: -63.513182
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -106.402437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.402437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.402437 (E_RNA)
where:
Base-Base interactions energy: -47.832
where: short stacking energy: -22.355
Base-Backbone interact. energy: -0.170
local terms energy: -58.400778
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -6.625
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: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -98.228477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.228477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.228477 (E_RNA)
where:
Base-Base interactions energy: -40.707
where: short stacking energy: -41.207
Base-Backbone interact. energy: 0.459
local terms energy: -57.980896
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -91.753736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.753736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.753736 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -38.582
Base-Backbone interact. energy: 0.098
local terms energy: -47.960158
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -9.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -73.858155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.858155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.858155 (E_RNA)
where:
Base-Base interactions energy: -17.010
where: short stacking energy: -16.003
Base-Backbone interact. energy: -0.704
local terms energy: -56.144133
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -2.932
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: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -82.826551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826551 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.530
local terms energy: -47.341197
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -8.090
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -65.882683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.882683 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -22.692
Base-Backbone interact. energy: -0.133
local terms energy: -31.563440
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -220.464596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.464596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.464596 (E_RNA)
where:
Base-Base interactions energy: -136.507
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.028
local terms energy: -83.929710
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -11.285
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: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -213.296117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.296117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.296117 (E_RNA)
where:
Base-Base interactions energy: -133.038
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.005
local terms energy: -80.253741
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -12.489
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: 129
Temperature: 1.000000
Total energy: -203.081753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.081753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.081753 (E_RNA)
where:
Base-Base interactions energy: -133.008
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.003
local terms energy: -70.071307
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -10.747
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: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -159.872117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.872117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.872117 (E_RNA)
where:
Base-Base interactions energy: -104.615
where: short stacking energy: -52.233
Base-Backbone interact. energy: -0.045
local terms energy: -55.212374
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -13.210
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: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -98.527239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.527239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.527239 (E_RNA)
where:
Base-Base interactions energy: -37.951
where: short stacking energy: -37.951
Base-Backbone interact. energy: 0.733
local terms energy: -61.309323
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -88.261874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261874 (E_RNA)
where:
Base-Base interactions energy: -27.102
where: short stacking energy: -27.102
Base-Backbone interact. energy: -0.122
local terms energy: -61.037753
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -85.300689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.300689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.300689 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.082
local terms energy: -53.253588
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -5.654
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -84.431418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.431418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.431418 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -35.943
Base-Backbone interact. energy: -0.301
local terms energy: -47.313358
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -5.866
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: 129
Temperature: 1.300000
Total energy: -78.970410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.970410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.970410 (E_RNA)
where:
Base-Base interactions energy: -24.008
where: short stacking energy: -23.053
Base-Backbone interact. energy: -0.642
local terms energy: -54.320612
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -76.998557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.998557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.998557 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -16.457
Base-Backbone interact. energy: -1.036
local terms energy: -39.865569
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -214.124596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.124596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.124596 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -63.985
Base-Backbone interact. energy: 0.333
local terms energy: -78.860854
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -215.316417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.316417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.316417 (E_RNA)
where:
Base-Base interactions energy: -138.523
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.035
local terms energy: -76.758879
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -182.269598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.269598 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -42.946
Base-Backbone interact. energy: -0.111
local terms energy: -63.512065
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -13.175
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: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -162.918123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.918123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.918123 (E_RNA)
where:
Base-Base interactions energy: -99.384
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.039
local terms energy: -63.495315
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -94.802927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.802927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.802927 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -27.625
Base-Backbone interact. energy: -0.257
local terms energy: -61.879864
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.187
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: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -91.011262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.011262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.011262 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -37.182
Base-Backbone interact. energy: -0.169
local terms energy: -53.659565
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -85.483353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.483353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.483353 (E_RNA)
where:
Base-Base interactions energy: -29.429
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.023
local terms energy: -56.031253
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -85.636079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636079 (E_RNA)
where:
Base-Base interactions energy: -35.623
where: short stacking energy: -27.762
Base-Backbone interact. energy: 0.719
local terms energy: -50.731961
where:
bonds (distance) C4'-P energy: -7.493
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -79.013620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013620 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.663
local terms energy: -49.002889
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.153
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: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -79.241145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241145 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.455
local terms energy: -49.943235
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -213.979416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.979416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.979416 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -71.150
Base-Backbone interact. energy: 1.722
local terms energy: -76.240661
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -209.025427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.025427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.025427 (E_RNA)
where:
Base-Base interactions energy: -134.801
where: short stacking energy: -64.081
Base-Backbone interact. energy: 0.829
local terms energy: -75.053632
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -23.001
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: 131
Temperature: 1.000000
Total energy: -185.882113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.882113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.882113 (E_RNA)
where:
Base-Base interactions energy: -118.510
where: short stacking energy: -54.877
Base-Backbone interact. energy: -0.881
local terms energy: -66.490996
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -15.955
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: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -127.617888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.617888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.617888 (E_RNA)
where:
Base-Base interactions energy: -70.469
where: short stacking energy: -37.355
Base-Backbone interact. energy: -0.107
local terms energy: -57.041175
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -99.384502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.384502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.384502 (E_RNA)
where:
Base-Base interactions energy: -47.352
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.159
local terms energy: -51.873504
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -108.135617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.135617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.135617 (E_RNA)
where:
Base-Base interactions energy: -49.552
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.261
local terms energy: -58.322510
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -4.016
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: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -94.739665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.739665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.739665 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.075
local terms energy: -52.127667
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -75.898511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.898511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.898511 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -21.741
Base-Backbone interact. energy: 0.024
local terms energy: -41.755877
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -2.903
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -76.341665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.341665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.341665 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.217
local terms energy: -48.413639
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -77.827505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827505 (E_RNA)
where:
Base-Base interactions energy: -26.535
where: short stacking energy: -26.535
Base-Backbone interact. energy: -0.208
local terms energy: -51.084379
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -216.111371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111371 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -62.858
Base-Backbone interact. energy: 0.328
local terms energy: -78.008482
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -213.867591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867591 (E_RNA)
where:
Base-Base interactions energy: -137.285
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.824
local terms energy: -75.758336
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -161.837194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.837194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.837194 (E_RNA)
where:
Base-Base interactions energy: -91.958
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.189
local terms energy: -69.689585
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -12.909
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: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -182.127650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.127650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.127650 (E_RNA)
where:
Base-Base interactions energy: -111.961
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.089
local terms energy: -70.077967
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -19.677
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -120.853101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.853101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.853101 (E_RNA)
where:
Base-Base interactions energy: -57.062
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.024
local terms energy: -63.766777
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -94.189596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.189596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.189596 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.008
local terms energy: -57.447746
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -87.664706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.664706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.664706 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.083
local terms energy: -59.270908
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -10.078
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: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -81.876238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876238 (E_RNA)
where:
Base-Base interactions energy: -22.754
where: short stacking energy: -22.754
Base-Backbone interact. energy: -0.586
local terms energy: -58.536293
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -89.533340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.533340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.533340 (E_RNA)
where:
Base-Base interactions energy: -33.703
where: short stacking energy: -33.703
Base-Backbone interact. energy: 0.163
local terms energy: -55.992726
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -74.710880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.710880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.710880 (E_RNA)
where:
Base-Base interactions energy: -29.893
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.554
local terms energy: -44.263897
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -0.355
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -219.028351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.028351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.028351 (E_RNA)
where:
Base-Base interactions energy: -144.292
where: short stacking energy: -66.537
Base-Backbone interact. energy: -0.050
local terms energy: -74.686006
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -21.815
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: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -214.719091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.719091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.719091 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.001
local terms energy: -81.155245
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -159.296274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.296274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.296274 (E_RNA)
where:
Base-Base interactions energy: -94.777
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.001
local terms energy: -64.518850
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -3.934
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: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -176.759628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.759628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.759628 (E_RNA)
where:
Base-Base interactions energy: -110.603
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.109
local terms energy: -66.047612
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -3.818
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: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -97.106907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.106907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.106907 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.422
local terms energy: -52.343488
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -7.069
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -97.012985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.012985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.012985 (E_RNA)
where:
Base-Base interactions energy: -36.837
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.008
local terms energy: -60.168182
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -11.433
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: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -85.373758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.373758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.373758 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.004
local terms energy: -52.311100
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -92.774182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.774182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.774182 (E_RNA)
where:
Base-Base interactions energy: -40.621
where: short stacking energy: -36.711
Base-Backbone interact. energy: -0.083
local terms energy: -52.069426
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -83.436490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436490 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -27.086
Base-Backbone interact. energy: -0.038
local terms energy: -54.842968
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -63.138555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.138555 (E_RNA)
where:
Base-Base interactions energy: -20.986
where: short stacking energy: -20.760
Base-Backbone interact. energy: -0.780
local terms energy: -41.373012
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -0.970
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: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -218.075680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.075680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.075680 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.204
local terms energy: -82.787302
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -22.651
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: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -212.343616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.343616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.343616 (E_RNA)
where:
Base-Base interactions energy: -131.502
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.005
local terms energy: -80.836322
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.826
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -173.044642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.044642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.044642 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -60.924
Base-Backbone interact. energy: -0.002
local terms energy: -55.421793
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -155.991756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.991756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.991756 (E_RNA)
where:
Base-Base interactions energy: -85.651
where: short stacking energy: -55.335
Base-Backbone interact. energy: 1.589
local terms energy: -71.930554
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -104.754354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.754354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.754354 (E_RNA)
where:
Base-Base interactions energy: -49.239
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.216
local terms energy: -55.299047
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -104.698315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.698315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.698315 (E_RNA)
where:
Base-Base interactions energy: -48.450
where: short stacking energy: -36.041
Base-Backbone interact. energy: -0.291
local terms energy: -55.957699
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -6.832
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: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -79.614990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.614990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.614990 (E_RNA)
where:
Base-Base interactions energy: -23.310
where: short stacking energy: -23.231
Base-Backbone interact. energy: -0.081
local terms energy: -56.224280
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -81.041510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041510 (E_RNA)
where:
Base-Base interactions energy: -30.539
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.079
local terms energy: -50.422991
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -92.463597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.463597 (E_RNA)
where:
Base-Base interactions energy: -45.367
where: short stacking energy: -18.876
Base-Backbone interact. energy: -0.552
local terms energy: -46.544510
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -74.025694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.025694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.025694 (E_RNA)
where:
Base-Base interactions energy: -19.151
where: short stacking energy: -18.445
Base-Backbone interact. energy: -0.171
local terms energy: -54.704355
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -2.174
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: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -214.165527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.165527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.165527 (E_RNA)
where:
Base-Base interactions energy: -137.373
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.497
local terms energy: -76.296349
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -20.980
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: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -218.154911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.154911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.154911 (E_RNA)
where:
Base-Base interactions energy: -143.194
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.164
local terms energy: -74.797176
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -175.782477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.782477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.782477 (E_RNA)
where:
Base-Base interactions energy: -117.427
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.144
local terms energy: -58.211657
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -171.724324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.724324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.724324 (E_RNA)
where:
Base-Base interactions energy: -113.563
where: short stacking energy: -48.536
Base-Backbone interact. energy: -0.050
local terms energy: -58.110828
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -98.244231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.244231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.244231 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -37.607
Base-Backbone interact. energy: -0.095
local terms energy: -60.542514
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -100.788192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.788192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.788192 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.036
local terms energy: -57.050620
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -92.647792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.647792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.647792 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.009
local terms energy: -55.777045
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -91.947567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.947567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.947567 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -30.205
Base-Backbone interact. energy: -1.404
local terms energy: -55.992749
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -5.608
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -85.421144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.421144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.421144 (E_RNA)
where:
Base-Base interactions energy: -36.898
where: short stacking energy: -31.513
Base-Backbone interact. energy: 0.016
local terms energy: -48.539048
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -76.507765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507765 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.471
local terms energy: -43.419298
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: 2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -219.806569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.806569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.806569 (E_RNA)
where:
Base-Base interactions energy: -141.642
where: short stacking energy: -66.114
Base-Backbone interact. energy: -0.013
local terms energy: -78.151632
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -217.975524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.975524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.975524 (E_RNA)
where:
Base-Base interactions energy: -144.173
where: short stacking energy: -67.201
Base-Backbone interact. energy: 0.103
local terms energy: -73.905115
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -13.224
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -157.156350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.156350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.156350 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.003
local terms energy: -59.770984
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -177.072101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.072101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072101 (E_RNA)
where:
Base-Base interactions energy: -107.449
where: short stacking energy: -50.609
Base-Backbone interact. energy: -0.069
local terms energy: -69.554436
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -12.419
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -132.209794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.209794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.209794 (E_RNA)
where:
Base-Base interactions energy: -74.769
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.095
local terms energy: -57.345551
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -89.411271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411271 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.399
local terms energy: -54.651240
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -7.971
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: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -110.354861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.354861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.354861 (E_RNA)
where:
Base-Base interactions energy: -70.828
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.185
local terms energy: -39.341531
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: 3.664
tors. eta vs tors. theta energy: -7.945
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: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -89.488952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488952 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.034
local terms energy: -51.618926
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -7.041
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: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -85.525781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525781 (E_RNA)
where:
Base-Base interactions energy: -35.279
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.059
local terms energy: -50.188498
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -1.193
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -70.610099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.610099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.610099 (E_RNA)
where:
Base-Base interactions energy: -22.574
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.428
local terms energy: -47.607948
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -219.035476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.035476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.035476 (E_RNA)
where:
Base-Base interactions energy: -140.496
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.075
local terms energy: -78.465183
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -214.659102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659102 (E_RNA)
where:
Base-Base interactions energy: -138.989
where: short stacking energy: -68.565
Base-Backbone interact. energy: -0.141
local terms energy: -75.529147
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -165.639618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.639618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.639618 (E_RNA)
where:
Base-Base interactions energy: -100.164
where: short stacking energy: -50.398
Base-Backbone interact. energy: 0.325
local terms energy: -65.800962
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.782
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: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -177.599635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.599635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.599635 (E_RNA)
where:
Base-Base interactions energy: -107.460
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.043
local terms energy: -70.096337
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -172.912848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.912848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.912848 (E_RNA)
where:
Base-Base interactions energy: -105.220
where: short stacking energy: -44.879
Base-Backbone interact. energy: -0.832
local terms energy: -66.861120
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -140.605440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.605440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.605440 (E_RNA)
where:
Base-Base interactions energy: -84.148
where: short stacking energy: -37.660
Base-Backbone interact. energy: 0.737
local terms energy: -57.194506
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.330
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: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -86.842346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842346 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.248
local terms energy: -60.261009
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -75.848039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.848039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.848039 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -26.862
Base-Backbone interact. energy: -0.722
local terms energy: -42.007176
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -97.816419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.816419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.816419 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -33.937
Base-Backbone interact. energy: -0.273
local terms energy: -55.877805
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.213064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213064 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -27.747
Base-Backbone interact. energy: -0.144
local terms energy: -52.961362
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -221.359958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.359958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.359958 (E_RNA)
where:
Base-Base interactions energy: -143.415
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.011
local terms energy: -77.933821
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -214.821038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.821038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821038 (E_RNA)
where:
Base-Base interactions energy: -133.561
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.650
local terms energy: -80.609982
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -192.036340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.036340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.036340 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.001
local terms energy: -73.861900
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -172.225110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.225110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.225110 (E_RNA)
where:
Base-Base interactions energy: -97.544
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.019
local terms energy: -74.661958
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -171.724909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.724909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.724909 (E_RNA)
where:
Base-Base interactions energy: -107.348
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.071
local terms energy: -64.306150
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -128.872867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.872867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.872867 (E_RNA)
where:
Base-Base interactions energy: -80.941
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.327
local terms energy: -47.604634
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -83.208307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.208307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.208307 (E_RNA)
where:
Base-Base interactions energy: -22.654
where: short stacking energy: -22.654
Base-Backbone interact. energy: -0.110
local terms energy: -60.444757
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -13.962
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: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -75.574422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.574422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.574422 (E_RNA)
where:
Base-Base interactions energy: -24.528
where: short stacking energy: -16.858
Base-Backbone interact. energy: 0.508
local terms energy: -51.554348
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -87.555734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.555734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.555734 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.191
local terms energy: -50.694394
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.846
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: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -84.784483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.784483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.784483 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.451
local terms energy: -55.582125
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -9.041
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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -217.082234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.082234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.082234 (E_RNA)
where:
Base-Base interactions energy: -138.648
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.015
local terms energy: -78.419881
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -21.444
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: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -212.163625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.163625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.163625 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -64.690
Base-Backbone interact. energy: 1.080
local terms energy: -71.775924
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.696
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -190.470385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.470385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.470385 (E_RNA)
where:
Base-Base interactions energy: -124.354
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.003
local terms energy: -66.113503
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -17.449
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -164.532910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.532910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.532910 (E_RNA)
where:
Base-Base interactions energy: -104.159
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.079
local terms energy: -60.294478
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -158.405869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.405869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.405869 (E_RNA)
where:
Base-Base interactions energy: -99.693
where: short stacking energy: -42.875
Base-Backbone interact. energy: -0.113
local terms energy: -58.600618
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: 0.681
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -119.264763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.264763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.264763 (E_RNA)
where:
Base-Base interactions energy: -59.414
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.234
local terms energy: -59.616459
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -7.446
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -88.099494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.099494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.099494 (E_RNA)
where:
Base-Base interactions energy: -33.163
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.167
local terms energy: -54.770432
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -98.427343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.427343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.427343 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -38.803
Base-Backbone interact. energy: 0.632
local terms energy: -57.069192
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -77.235801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.235801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.235801 (E_RNA)
where:
Base-Base interactions energy: -25.401
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.600
local terms energy: -51.235155
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -12.014
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: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -76.391618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.391618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.391618 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -29.218
Base-Backbone interact. energy: -0.136
local terms energy: -46.029815
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -10.158
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: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -212.445272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.445272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.445272 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.030
local terms energy: -74.621037
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -217.266627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.266627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.266627 (E_RNA)
where:
Base-Base interactions energy: -138.263
where: short stacking energy: -66.361
Base-Backbone interact. energy: -0.044
local terms energy: -78.959608
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -23.010
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: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -203.105425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.105425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.105425 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.294
local terms energy: -75.216880
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -177.263448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.263448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263448 (E_RNA)
where:
Base-Base interactions energy: -112.114
where: short stacking energy: -44.807
Base-Backbone interact. energy: -0.131
local terms energy: -65.018493
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -151.289189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.289189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.289189 (E_RNA)
where:
Base-Base interactions energy: -82.540
where: short stacking energy: -48.054
Base-Backbone interact. energy: -0.081
local terms energy: -68.668629
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -94.274013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274013 (E_RNA)
where:
Base-Base interactions energy: -34.191
where: short stacking energy: -33.663
Base-Backbone interact. energy: -0.596
local terms energy: -59.487521
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -88.342260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.342260 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -22.584
Base-Backbone interact. energy: 0.091
local terms energy: -52.499058
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -79.796122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796122 (E_RNA)
where:
Base-Base interactions energy: -27.167
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.201
local terms energy: -52.428853
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -77.997831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997831 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -25.282
Base-Backbone interact. energy: -0.286
local terms energy: -45.632326
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -77.905037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905037 (E_RNA)
where:
Base-Base interactions energy: -28.466
where: short stacking energy: -27.059
Base-Backbone interact. energy: 1.376
local terms energy: -50.814599
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -217.507602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507602 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.010
local terms energy: -77.350526
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -216.445213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.445213 (E_RNA)
where:
Base-Base interactions energy: -139.055
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.048
local terms energy: -77.342360
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -22.613
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: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -189.276695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.276695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.276695 (E_RNA)
where:
Base-Base interactions energy: -119.634
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.007
local terms energy: -69.635476
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.248
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: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -168.058593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.058593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.058593 (E_RNA)
where:
Base-Base interactions energy: -108.212
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.263
local terms energy: -59.583213
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -158.713432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.713432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.713432 (E_RNA)
where:
Base-Base interactions energy: -101.685
where: short stacking energy: -47.684
Base-Backbone interact. energy: -0.035
local terms energy: -56.993543
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -105.889640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.889640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.889640 (E_RNA)
where:
Base-Base interactions energy: -43.943
where: short stacking energy: -43.271
Base-Backbone interact. energy: -1.028
local terms energy: -60.918496
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -92.307110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.307110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.307110 (E_RNA)
where:
Base-Base interactions energy: -34.579
where: short stacking energy: -34.579
Base-Backbone interact. energy: -0.123
local terms energy: -57.605506
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -108.348550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.348550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.348550 (E_RNA)
where:
Base-Base interactions energy: -73.774
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.207
local terms energy: -34.367100
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -6.172
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -86.060916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.060916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.060916 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.248
local terms energy: -48.105577
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.134
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: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -73.888612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.888612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.888612 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -27.375
Base-Backbone interact. energy: -1.136
local terms energy: -42.143329
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -219.753833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.753833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.753833 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.256
local terms energy: -77.833345
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -213.379111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.379111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.379111 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.155
local terms energy: -78.183547
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -20.920
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -184.390364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.390364 (E_RNA)
where:
Base-Base interactions energy: -116.271
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.005
local terms energy: -68.114791
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -157.972332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.972332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.972332 (E_RNA)
where:
Base-Base interactions energy: -96.861
where: short stacking energy: -42.987
Base-Backbone interact. energy: -0.002
local terms energy: -61.109683
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: 0.387
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: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -156.716448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.716448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.716448 (E_RNA)
where:
Base-Base interactions energy: -96.561
where: short stacking energy: -47.624
Base-Backbone interact. energy: -0.003
local terms energy: -60.152633
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -97.979331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979331 (E_RNA)
where:
Base-Base interactions energy: -42.625
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.139
local terms energy: -55.215136
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -9.952
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -87.998455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998455 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -36.657
Base-Backbone interact. energy: -0.207
local terms energy: -50.956302
where:
bonds (distance) C4'-P energy: -4.232
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -7.409
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: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -82.586608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586608 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -35.801
Base-Backbone interact. energy: -0.098
local terms energy: -46.687293
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -6.810
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.253874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.253874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.253874 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -31.776
Base-Backbone interact. energy: -0.180
local terms energy: -53.297458
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -76.354717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.354717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.354717 (E_RNA)
where:
Base-Base interactions energy: -31.296
where: short stacking energy: -21.388
Base-Backbone interact. energy: -0.900
local terms energy: -44.158510
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -5.995
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -219.136612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136612 (E_RNA)
where:
Base-Base interactions energy: -138.179
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.420
local terms energy: -80.536914
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -216.254592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.254592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254592 (E_RNA)
where:
Base-Base interactions energy: -137.708
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.069
local terms energy: -78.477861
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.771
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: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -186.376342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.376342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.376342 (E_RNA)
where:
Base-Base interactions energy: -113.189
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.080
local terms energy: -73.106801
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -154.507317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.507317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.507317 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -44.679
Base-Backbone interact. energy: 0.168
local terms energy: -53.964506
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -6.637
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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -134.929696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.929696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.929696 (E_RNA)
where:
Base-Base interactions energy: -69.520
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.216
local terms energy: -65.194116
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -103.797158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797158 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.412
local terms energy: -61.535094
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -13.067
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: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -95.670454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.670454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.670454 (E_RNA)
where:
Base-Base interactions energy: -41.742
where: short stacking energy: -33.642
Base-Backbone interact. energy: -0.105
local terms energy: -53.823811
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -91.549664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549664 (E_RNA)
where:
Base-Base interactions energy: -36.624
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.044
local terms energy: -54.881149
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -6.948
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.235092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235092 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -41.443
Base-Backbone interact. energy: -0.096
local terms energy: -43.377943
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -5.798
flat angles C4'-P-C4' energy: -7.236
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -92.961187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.961187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.961187 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.236
local terms energy: -48.531194
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -220.087528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087528 (E_RNA)
where:
Base-Base interactions energy: -138.003
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.036
local terms energy: -82.048421
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -210.530364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530364 (E_RNA)
where:
Base-Base interactions energy: -134.540
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.110
local terms energy: -75.880538
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -21.607
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: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -179.738531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.738531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.738531 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -54.828
Base-Backbone interact. energy: -0.009
local terms energy: -66.079413
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -11.106
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -163.720125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.720125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.720125 (E_RNA)
where:
Base-Base interactions energy: -101.099
where: short stacking energy: -50.850
Base-Backbone interact. energy: -0.130
local terms energy: -62.491219
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.470
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: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -136.220135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.220135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.220135 (E_RNA)
where:
Base-Base interactions energy: -72.460
where: short stacking energy: -42.676
Base-Backbone interact. energy: -0.614
local terms energy: -63.146176
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -8.141
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: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -99.951137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951137 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.003
local terms energy: -65.864864
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -9.129
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: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -104.923246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.923246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.923246 (E_RNA)
where:
Base-Base interactions energy: -46.763
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.170
local terms energy: -57.990049
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -80.441616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441616 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -23.110
Base-Backbone interact. energy: 1.348
local terms energy: -43.361168
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -77.224638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.224638 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -20.697
Base-Backbone interact. energy: 1.958
local terms energy: -55.314993
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -67.695617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.695617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.695617 (E_RNA)
where:
Base-Base interactions energy: -26.093
where: short stacking energy: -26.093
Base-Backbone interact. energy: -0.439
local terms energy: -41.163585
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: 1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -211.907653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.907653 (E_RNA)
where:
Base-Base interactions energy: -135.986
where: short stacking energy: -56.294
Base-Backbone interact. energy: -0.233
local terms energy: -75.688898
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -220.822888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822888 (E_RNA)
where:
Base-Base interactions energy: -142.059
where: short stacking energy: -67.445
Base-Backbone interact. energy: -0.753
local terms energy: -78.010235
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -185.486430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.486430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.486430 (E_RNA)
where:
Base-Base interactions energy: -112.346
where: short stacking energy: -52.793
Base-Backbone interact. energy: 0.010
local terms energy: -73.150967
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -160.293454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.293454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.293454 (E_RNA)
where:
Base-Base interactions energy: -95.312
where: short stacking energy: -47.037
Base-Backbone interact. energy: -0.656
local terms energy: -64.325772
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -13.780
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: 145
Temperature: 1.100000
Total energy: -158.501241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.501241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.501241 (E_RNA)
where:
Base-Base interactions energy: -91.713
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.043
local terms energy: -66.744501
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -97.698124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.698124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.698124 (E_RNA)
where:
Base-Base interactions energy: -44.963
where: short stacking energy: -37.830
Base-Backbone interact. energy: 2.268
local terms energy: -55.003218
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -5.013
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: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -84.930057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930057 (E_RNA)
where:
Base-Base interactions energy: -30.831
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.258
local terms energy: -53.840253
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -95.963355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963355 (E_RNA)
where:
Base-Base interactions energy: -38.793
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.740
local terms energy: -56.430491
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -84.839816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839816 (E_RNA)
where:
Base-Base interactions energy: -31.171
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.009
local terms energy: -53.660268
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -78.084464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084464 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.101
local terms energy: -50.503850
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -1.845
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: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -218.832895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832895 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.870
local terms energy: -81.429197
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -212.359198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.359198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.359198 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -63.573
Base-Backbone interact. energy: -0.012
local terms energy: -79.556408
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -22.157
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: 146
Temperature: 1.000000
Total energy: -165.869809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.869809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.869809 (E_RNA)
where:
Base-Base interactions energy: -102.869
where: short stacking energy: -45.896
Base-Backbone interact. energy: 3.518
local terms energy: -66.518801
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -192.616524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.616524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.616524 (E_RNA)
where:
Base-Base interactions energy: -114.179
where: short stacking energy: -58.637
Base-Backbone interact. energy: -0.001
local terms energy: -78.436601
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -155.390059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.390059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.390059 (E_RNA)
where:
Base-Base interactions energy: -91.248
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.014
local terms energy: -64.128727
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -92.021407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.021407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.021407 (E_RNA)
where:
Base-Base interactions energy: -39.267
where: short stacking energy: -33.982
Base-Backbone interact. energy: -0.206
local terms energy: -52.549106
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -5.744
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: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -81.219806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219806 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -26.151
Base-Backbone interact. energy: -0.362
local terms energy: -54.706589
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -83.466512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.466512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.466512 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -32.563
Base-Backbone interact. energy: -0.054
local terms energy: -50.495330
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -77.955294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.955294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.955294 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -24.263
Base-Backbone interact. energy: -0.251
local terms energy: -51.191502
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -80.562784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.562784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.562784 (E_RNA)
where:
Base-Base interactions energy: -32.156
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.110
local terms energy: -48.296436
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -219.619233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.619233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.619233 (E_RNA)
where:
Base-Base interactions energy: -135.843
where: short stacking energy: -64.005
Base-Backbone interact. energy: -0.034
local terms energy: -83.741809
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -208.310420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310420 (E_RNA)
where:
Base-Base interactions energy: -134.793
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.032
local terms energy: -73.484709
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -10.336
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: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -171.369071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.369071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.369071 (E_RNA)
where:
Base-Base interactions energy: -104.091
where: short stacking energy: -56.652
Base-Backbone interact. energy: -0.010
local terms energy: -67.268101
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -175.119978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.119978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.119978 (E_RNA)
where:
Base-Base interactions energy: -107.382
where: short stacking energy: -49.996
Base-Backbone interact. energy: -0.002
local terms energy: -67.736578
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -191.125672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.125672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.125672 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.004
local terms energy: -75.524782
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -93.820735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820735 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -34.936
Base-Backbone interact. energy: -0.132
local terms energy: -55.051622
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -6.406
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: 147
Temperature: 1.200000
Total energy: -91.428864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.428864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428864 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -36.306
Base-Backbone interact. energy: -0.697
local terms energy: -51.765606
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -8.329
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -91.259052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259052 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.143
local terms energy: -55.424525
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -7.010
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: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -74.209116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.209116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.209116 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.004
local terms energy: -43.331408
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -0.028
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: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -73.995670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995670 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -22.656
Base-Backbone interact. energy: -0.210
local terms energy: -48.142160
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -220.769106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.769106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.769106 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.825
local terms energy: -78.197148
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -11.509
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: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -210.532943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.532943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.532943 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.034
local terms energy: -75.560097
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -12.324
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: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -179.595081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.595081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.595081 (E_RNA)
where:
Base-Base interactions energy: -107.102
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.108
local terms energy: -72.385105
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -178.453714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.453714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.453714 (E_RNA)
where:
Base-Base interactions energy: -109.961
where: short stacking energy: -44.942
Base-Backbone interact. energy: -0.663
local terms energy: -67.830386
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -9.119
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -191.963809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.963809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.963809 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.008
local terms energy: -72.626993
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.333
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: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -88.003581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003581 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -28.772
Base-Backbone interact. energy: -0.269
local terms energy: -53.784712
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -94.613160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.613160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.613160 (E_RNA)
where:
Base-Base interactions energy: -45.477
where: short stacking energy: -35.002
Base-Backbone interact. energy: 2.078
local terms energy: -51.214717
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -82.971005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971005 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.037
local terms energy: -51.222275
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -88.463666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.463666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.463666 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -13.558
Base-Backbone interact. energy: -0.202
local terms energy: -48.880025
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -80.533906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.533906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.533906 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -21.331
Base-Backbone interact. energy: -0.119
local terms energy: -45.906441
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -2.576
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -219.999555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999555 (E_RNA)
where:
Base-Base interactions energy: -140.268
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.105
local terms energy: -79.626573
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -218.941651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.941651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941651 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.047
local terms energy: -81.712681
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.207
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: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -189.557098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557098 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -61.558
Base-Backbone interact. energy: 0.023
local terms energy: -76.065375
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -183.635075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.635075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.635075 (E_RNA)
where:
Base-Base interactions energy: -111.119
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.042
local terms energy: -72.474007
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -154.514813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.514813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.514813 (E_RNA)
where:
Base-Base interactions energy: -98.864
where: short stacking energy: -45.891
Base-Backbone interact. energy: -0.221
local terms energy: -55.429397
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -97.254240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.254240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.254240 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -42.322
Base-Backbone interact. energy: -0.128
local terms energy: -54.804306
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -85.440280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.440280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.440280 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -31.722
Base-Backbone interact. energy: -0.201
local terms energy: -53.517470
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -75.925474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.925474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.925474 (E_RNA)
where:
Base-Base interactions energy: -25.024
where: short stacking energy: -25.024
Base-Backbone interact. energy: -1.458
local terms energy: -49.443426
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -84.969667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.969667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.969667 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.043
local terms energy: -52.082618
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -3.289
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: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -79.320751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.320751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.320751 (E_RNA)
where:
Base-Base interactions energy: -28.380
where: short stacking energy: -26.506
Base-Backbone interact. energy: -0.094
local terms energy: -50.846176
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -220.169959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.169959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.169959 (E_RNA)
where:
Base-Base interactions energy: -139.093
where: short stacking energy: -67.626
Base-Backbone interact. energy: -1.021
local terms energy: -80.055639
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -20.193
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: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -202.298811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.298811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.298811 (E_RNA)
where:
Base-Base interactions energy: -127.320
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.035
local terms energy: -74.944391
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -186.089645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.089645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.089645 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.023
local terms energy: -65.904289
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -166.670482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.670482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.670482 (E_RNA)
where:
Base-Base interactions energy: -97.318
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.028
local terms energy: -69.323979
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -101.529975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.529975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.529975 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.707
local terms energy: -52.746250
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -6.038
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: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -95.021589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.021589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.021589 (E_RNA)
where:
Base-Base interactions energy: -37.323
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.428
local terms energy: -57.270514
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -90.276917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276917 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -32.449
Base-Backbone interact. energy: -0.184
local terms energy: -53.706303
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -79.438158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.438158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.438158 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -12.660
Base-Backbone interact. energy: -1.149
local terms energy: -44.299368
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: 3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.234940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.234940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.234940 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -32.934
Base-Backbone interact. energy: 1.205
local terms energy: -55.506236
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.454
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: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.192621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.192621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.192621 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.146
local terms energy: -47.989575
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -218.678932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.678932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.678932 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.299
local terms energy: -77.992217
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.021
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: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -195.408785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.408785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.408785 (E_RNA)
where:
Base-Base interactions energy: -114.503
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.062
local terms energy: -80.843834
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -20.246
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -190.326244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.326244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.326244 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.365
local terms energy: -67.729926
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -162.768702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.768702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.768702 (E_RNA)
where:
Base-Base interactions energy: -108.080
where: short stacking energy: -51.709
Base-Backbone interact. energy: -0.345
local terms energy: -54.343040
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -7.295
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: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -89.228229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.228229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.228229 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.005
local terms energy: -57.251307
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -91.707422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.707422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.707422 (E_RNA)
where:
Base-Base interactions energy: -27.794
where: short stacking energy: -25.709
Base-Backbone interact. energy: -1.104
local terms energy: -62.809826
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -82.239037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239037 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -14.444
Base-Backbone interact. energy: -0.443
local terms energy: -50.166606
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: 0.566
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: 151
Temperature: 1.250000
Total energy: -83.205359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.205359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.205359 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -18.215
Base-Backbone interact. energy: -0.352
local terms energy: -54.385030
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.818
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -77.742539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.742539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.742539 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -18.941
Base-Backbone interact. energy: -0.259
local terms energy: -44.888411
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -0.875
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -81.853840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.853840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.853840 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -27.171
Base-Backbone interact. energy: -0.107
local terms energy: -54.575755
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -202.420483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.420483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.420483 (E_RNA)
where:
Base-Base interactions energy: -127.298
where: short stacking energy: -68.921
Base-Backbone interact. energy: -0.000
local terms energy: -75.122078
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -215.467500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.467500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.467500 (E_RNA)
where:
Base-Base interactions energy: -139.257
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.018
local terms energy: -76.192312
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -24.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -214.915556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.915556 (E_RNA)
where:
Base-Base interactions energy: -132.711
where: short stacking energy: -61.669
Base-Backbone interact. energy: -0.286
local terms energy: -81.919307
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -12.369
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -175.344012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.344012 (E_RNA)
where:
Base-Base interactions energy: -108.296
where: short stacking energy: -52.035
Base-Backbone interact. energy: -0.042
local terms energy: -67.006317
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -94.014588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.014588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.014588 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.061
local terms energy: -58.679792
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -8.643
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -94.729530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.729530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.729530 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -36.251
Base-Backbone interact. energy: -0.152
local terms energy: -57.594117
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -96.194961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194961 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.056
local terms energy: -59.487963
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -10.090
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -90.986348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986348 (E_RNA)
where:
Base-Base interactions energy: -44.966
where: short stacking energy: -32.299
Base-Backbone interact. energy: 0.779
local terms energy: -46.799880
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -76.377488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.377488 (E_RNA)
where:
Base-Base interactions energy: -24.738
where: short stacking energy: -22.033
Base-Backbone interact. energy: -0.094
local terms energy: -51.545548
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -0.680
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -76.714432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.714432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.714432 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.464
local terms energy: -49.833084
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -201.541441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.541441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.541441 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.041
local terms energy: -74.617422
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -212.340542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340542 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.315
local terms energy: -79.750853
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -188.577523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.577523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577523 (E_RNA)
where:
Base-Base interactions energy: -119.319
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.543
local terms energy: -68.715513
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -173.565545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.565545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.565545 (E_RNA)
where:
Base-Base interactions energy: -104.709
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.003
local terms energy: -68.853987
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.175
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: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -95.062082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.062082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.062082 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.121
local terms energy: -60.983015
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -87.583137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.583137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.583137 (E_RNA)
where:
Base-Base interactions energy: -45.575
where: short stacking energy: -29.639
Base-Backbone interact. energy: -0.442
local terms energy: -41.566435
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -86.803270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803270 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -30.540
Base-Backbone interact. energy: 0.001
local terms energy: -55.890301
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -77.937389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.937389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.937389 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -25.786
Base-Backbone interact. energy: -0.147
local terms energy: -47.878360
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -91.785132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.785132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.785132 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.950
local terms energy: -52.088639
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -76.858167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.858167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.858167 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.616
local terms energy: -46.901496
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -226.257878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.257878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.257878 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.008
local terms energy: -81.626639
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -13.596
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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -197.592759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.592759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.592759 (E_RNA)
where:
Base-Base interactions energy: -121.433
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.134
local terms energy: -76.025178
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -201.009899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.009899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.009899 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.117
local terms energy: -71.070530
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -19.480
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: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -179.199703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.199703 (E_RNA)
where:
Base-Base interactions energy: -102.873
where: short stacking energy: -46.847
Base-Backbone interact. energy: -0.004
local terms energy: -76.322804
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -10.314
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: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -97.857107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.857107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.857107 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.072
local terms energy: -62.983748
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -5.671
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: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -96.205679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.205679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.205679 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -34.261
Base-Backbone interact. energy: -0.002
local terms energy: -61.942120
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -102.763347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.763347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.763347 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.222
local terms energy: -64.210656
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -93.801746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801746 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -30.737
Base-Backbone interact. energy: 0.715
local terms energy: -58.905083
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -70.395731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.395731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.395731 (E_RNA)
where:
Base-Base interactions energy: -20.864
where: short stacking energy: -14.859
Base-Backbone interact. energy: 0.879
local terms energy: -50.410911
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -68.674498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.674498 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -20.416
Base-Backbone interact. energy: -1.285
local terms energy: -42.879469
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -8.507
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -218.901205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.901205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.901205 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.004
local terms energy: -77.623173
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -218.776202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.776202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.776202 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.022
local terms energy: -80.828799
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -182.913895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.913895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.913895 (E_RNA)
where:
Base-Base interactions energy: -110.649
where: short stacking energy: -55.780
Base-Backbone interact. energy: -0.194
local terms energy: -72.070007
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.225
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: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -175.737468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.737468 (E_RNA)
where:
Base-Base interactions energy: -110.895
where: short stacking energy: -61.547
Base-Backbone interact. energy: 0.223
local terms energy: -65.064592
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -98.448376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.448376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.448376 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -39.744
Base-Backbone interact. energy: -1.684
local terms energy: -57.020594
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -94.516483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.516483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.516483 (E_RNA)
where:
Base-Base interactions energy: -34.488
where: short stacking energy: -32.030
Base-Backbone interact. energy: -0.111
local terms energy: -59.917075
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -8.809
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: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -87.117137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.117137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.117137 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.168
local terms energy: -48.774006
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.266
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: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -76.494003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494003 (E_RNA)
where:
Base-Base interactions energy: -28.599
where: short stacking energy: -23.528
Base-Backbone interact. energy: -0.714
local terms energy: -47.181444
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -92.815699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815699 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -26.502
Base-Backbone interact. energy: 1.049
local terms energy: -60.268837
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -73.877190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.877190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.877190 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.063
local terms energy: -44.713432
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -216.758076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758076 (E_RNA)
where:
Base-Base interactions energy: -137.135
where: short stacking energy: -65.755
Base-Backbone interact. energy: -0.067
local terms energy: -79.555323
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -204.689754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.689754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.689754 (E_RNA)
where:
Base-Base interactions energy: -138.964
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.033
local terms energy: -65.691930
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -16.203
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: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -183.460852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.460852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.460852 (E_RNA)
where:
Base-Base interactions energy: -112.411
where: short stacking energy: -53.276
Base-Backbone interact. energy: 0.073
local terms energy: -71.123348
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -12.205
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -183.884813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.884813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.884813 (E_RNA)
where:
Base-Base interactions energy: -114.690
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.110
local terms energy: -69.085009
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -6.981
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -96.297892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.297892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.297892 (E_RNA)
where:
Base-Base interactions energy: -43.484
where: short stacking energy: -26.394
Base-Backbone interact. energy: 0.791
local terms energy: -53.604226
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -103.196331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.196331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.196331 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.029
local terms energy: -59.395177
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -90.159905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159905 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -20.697
Base-Backbone interact. energy: 0.218
local terms energy: -53.943376
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -78.728695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.728695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.728695 (E_RNA)
where:
Base-Base interactions energy: -30.947
where: short stacking energy: -22.410
Base-Backbone interact. energy: -1.409
local terms energy: -46.373100
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -75.674986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.674986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.674986 (E_RNA)
where:
Base-Base interactions energy: -21.597
where: short stacking energy: -16.098
Base-Backbone interact. energy: -0.255
local terms energy: -53.823490
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -77.716158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.716158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.716158 (E_RNA)
where:
Base-Base interactions energy: -43.208
where: short stacking energy: -24.923
Base-Backbone interact. energy: 1.869
local terms energy: -36.376855
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -0.515
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -221.257945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.257945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.257945 (E_RNA)
where:
Base-Base interactions energy: -144.865
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.024
local terms energy: -76.369378
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -23.006
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -186.733650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.733650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.733650 (E_RNA)
where:
Base-Base interactions energy: -116.723
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.424
local terms energy: -69.587182
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.207
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: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -196.008082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.008082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.008082 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.269
local terms energy: -71.245998
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -138.188171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.188171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.188171 (E_RNA)
where:
Base-Base interactions energy: -92.432
where: short stacking energy: -30.505
Base-Backbone interact. energy: -0.085
local terms energy: -45.670901
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -167.497613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.497613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.497613 (E_RNA)
where:
Base-Base interactions energy: -101.106
where: short stacking energy: -50.047
Base-Backbone interact. energy: -0.143
local terms energy: -66.247992
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -89.009705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.009705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.009705 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.112
local terms energy: -52.094033
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -128.088198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.088198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.088198 (E_RNA)
where:
Base-Base interactions energy: -59.162
where: short stacking energy: -28.468
Base-Backbone interact. energy: -0.168
local terms energy: -68.758670
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -83.352806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352806 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.235
local terms energy: -48.478755
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -4.096
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -81.587399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587399 (E_RNA)
where:
Base-Base interactions energy: -43.757
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.155
local terms energy: -37.675585
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: 5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -63.749904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.749904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.749904 (E_RNA)
where:
Base-Base interactions energy: -24.402
where: short stacking energy: -24.307
Base-Backbone interact. energy: -1.233
local terms energy: -38.114746
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -221.845078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.845078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.845078 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -68.659
Base-Backbone interact. energy: 1.282
local terms energy: -80.203241
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -188.267686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.267686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.267686 (E_RNA)
where:
Base-Base interactions energy: -117.066
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.415
local terms energy: -70.786933
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -13.376
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -208.481560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481560 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.036
local terms energy: -80.562892
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -156.924684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.924684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.924684 (E_RNA)
where:
Base-Base interactions energy: -87.692
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.724
local terms energy: -68.509025
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -163.332446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.332446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.332446 (E_RNA)
where:
Base-Base interactions energy: -100.489
where: short stacking energy: -46.265
Base-Backbone interact. energy: -0.645
local terms energy: -62.198374
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -92.242462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242462 (E_RNA)
where:
Base-Base interactions energy: -39.338
where: short stacking energy: -33.708
Base-Backbone interact. energy: 0.207
local terms energy: -53.111484
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -100.398397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.398397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.398397 (E_RNA)
where:
Base-Base interactions energy: -49.885
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.675
local terms energy: -49.838071
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -82.594196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594196 (E_RNA)
where:
Base-Base interactions energy: -29.339
where: short stacking energy: -23.969
Base-Backbone interact. energy: -0.273
local terms energy: -52.981769
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -79.184831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.184831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.184831 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -23.609
Base-Backbone interact. energy: 0.258
local terms energy: -53.684376
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -71.776248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.776248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.776248 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -26.755
Base-Backbone interact. energy: -0.104
local terms energy: -41.196121
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -5.668
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: 159
Temperature: 0.900000
Total energy: -219.557042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.557042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.557042 (E_RNA)
where:
Base-Base interactions energy: -145.545
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.239
local terms energy: -73.772855
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -220.078766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.078766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.078766 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -67.117
Base-Backbone interact. energy: 0.030
local terms energy: -83.186926
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -21.427
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: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -185.566194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.566194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.566194 (E_RNA)
where:
Base-Base interactions energy: -109.969
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.039
local terms energy: -75.558425
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -18.391
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: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -171.220076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.220076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.220076 (E_RNA)
where:
Base-Base interactions energy: -99.931
where: short stacking energy: -37.254
Base-Backbone interact. energy: -0.052
local terms energy: -71.237165
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -140.647558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.647558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.647558 (E_RNA)
where:
Base-Base interactions energy: -84.929
where: short stacking energy: -48.120
Base-Backbone interact. energy: -0.090
local terms energy: -55.629074
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -124.897543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.897543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.897543 (E_RNA)
where:
Base-Base interactions energy: -71.024
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.154
local terms energy: -53.720417
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -97.539542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.539542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.539542 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.099
local terms energy: -58.576250
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -81.403957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403957 (E_RNA)
where:
Base-Base interactions energy: -23.100
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.234
local terms energy: -58.070355
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -82.819996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819996 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -20.411
Base-Backbone interact. energy: 1.811
local terms energy: -45.717146
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.080
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.602230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.602230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.602230 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -20.537
Base-Backbone interact. energy: 0.321
local terms energy: -47.003438
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -215.165988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165988 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.064
local terms energy: -80.027786
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -208.876920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.876920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.876920 (E_RNA)
where:
Base-Base interactions energy: -131.422
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.010
local terms energy: -77.444803
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -189.736573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.736573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.736573 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.037
local terms energy: -75.910623
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -176.522701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522701 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -49.135
Base-Backbone interact. energy: -0.222
local terms energy: -52.054791
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -7.845
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -9.262
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -138.898030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.898030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.898030 (E_RNA)
where:
Base-Base interactions energy: -82.866
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.797
local terms energy: -55.234382
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -132.065973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.065973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.065973 (E_RNA)
where:
Base-Base interactions energy: -77.676
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.236
local terms energy: -54.154041
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -11.821
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: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -102.846524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.846524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.846524 (E_RNA)
where:
Base-Base interactions energy: -42.836
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.091
local terms energy: -59.919286
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -77.000780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.000780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.000780 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.372
local terms energy: -47.266060
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -95.665216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665216 (E_RNA)
where:
Base-Base interactions energy: -41.794
where: short stacking energy: -27.858
Base-Backbone interact. energy: -0.695
local terms energy: -53.176242
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -72.466539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.466539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.466539 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -18.134
Base-Backbone interact. energy: -0.711
local terms energy: -39.559405
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -2.166
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -218.499171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.499171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.499171 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.261
local terms energy: -74.137348
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -209.784883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.784883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.784883 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -60.329
Base-Backbone interact. energy: -0.090
local terms energy: -81.883915
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -192.124429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.124429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.124429 (E_RNA)
where:
Base-Base interactions energy: -117.128
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.604
local terms energy: -74.392073
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -181.540642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.540642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.540642 (E_RNA)
where:
Base-Base interactions energy: -107.677
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.418
local terms energy: -73.445533
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -170.358157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.358157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.358157 (E_RNA)
where:
Base-Base interactions energy: -102.952
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.001
local terms energy: -67.404690
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -108.963180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.963180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.963180 (E_RNA)
where:
Base-Base interactions energy: -52.121
where: short stacking energy: -25.213
Base-Backbone interact. energy: -0.026
local terms energy: -56.816221
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -5.008
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: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -90.728423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.728423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.728423 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -38.546
Base-Backbone interact. energy: 1.598
local terms energy: -53.779942
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -73.685087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.685087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.685087 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -17.063
Base-Backbone interact. energy: -0.724
local terms energy: -45.232867
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -76.163312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163312 (E_RNA)
where:
Base-Base interactions energy: -22.302
where: short stacking energy: -22.302
Base-Backbone interact. energy: -0.102
local terms energy: -53.759121
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -78.113562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.113562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.113562 (E_RNA)
where:
Base-Base interactions energy: -44.381
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.294
local terms energy: -33.438415
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: 4.919
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -216.845390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.845390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.845390 (E_RNA)
where:
Base-Base interactions energy: -140.216
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.039
local terms energy: -76.589534
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -208.157675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.157675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157675 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -59.122
Base-Backbone interact. energy: -0.438
local terms energy: -79.651391
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -195.493479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.493479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.493479 (E_RNA)
where:
Base-Base interactions energy: -119.701
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.189
local terms energy: -75.603800
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.373
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: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -175.868206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.868206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.868206 (E_RNA)
where:
Base-Base interactions energy: -107.095
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.013
local terms energy: -68.760147
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -185.955665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.955665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.955665 (E_RNA)
where:
Base-Base interactions energy: -115.648
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.075
local terms energy: -70.232227
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.980
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -93.316952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.316952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.316952 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.074
local terms energy: -48.020111
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -84.703154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703154 (E_RNA)
where:
Base-Base interactions energy: -27.524
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.302
local terms energy: -56.877405
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -89.281088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.281088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.281088 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -34.928
Base-Backbone interact. energy: 0.367
local terms energy: -54.720298
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.967
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: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -81.065653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.065653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.065653 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -22.037
Base-Backbone interact. energy: -0.166
local terms energy: -52.984629
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -70.234754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.234754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.234754 (E_RNA)
where:
Base-Base interactions energy: -22.325
where: short stacking energy: -21.329
Base-Backbone interact. energy: -0.352
local terms energy: -47.557988
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -216.426221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.426221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.426221 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.015
local terms energy: -85.989108
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -211.949452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.949452 (E_RNA)
where:
Base-Base interactions energy: -138.602
where: short stacking energy: -67.314
Base-Backbone interact. energy: 2.502
local terms energy: -75.849485
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -179.493093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.493093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493093 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -56.493
Base-Backbone interact. energy: 0.466
local terms energy: -62.033922
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -195.694855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694855 (E_RNA)
where:
Base-Base interactions energy: -125.520
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.002
local terms energy: -70.172722
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -171.188155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.188155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.188155 (E_RNA)
where:
Base-Base interactions energy: -100.165
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.410
local terms energy: -70.613169
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -13.276
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: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -152.632973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.632973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.632973 (E_RNA)
where:
Base-Base interactions energy: -88.563
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.001
local terms energy: -64.068982
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -15.602
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -87.444442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.444442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.444442 (E_RNA)
where:
Base-Base interactions energy: -27.970
where: short stacking energy: -27.970
Base-Backbone interact. energy: -0.017
local terms energy: -59.457858
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -79.900613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.900613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.900613 (E_RNA)
where:
Base-Base interactions energy: -28.447
where: short stacking energy: -26.678
Base-Backbone interact. energy: -0.192
local terms energy: -51.261783
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -75.463533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.463533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.463533 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -26.984
Base-Backbone interact. energy: -0.243
local terms energy: -46.525321
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -87.637506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.637506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.637506 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.610
local terms energy: -43.984226
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -219.834750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834750 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.011
local terms energy: -80.868534
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.339
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: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -214.876612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.876612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.876612 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.062
local terms energy: -80.129489
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -176.104283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.104283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.104283 (E_RNA)
where:
Base-Base interactions energy: -107.108
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.129
local terms energy: -68.867028
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -13.581
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -172.171732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.171732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.171732 (E_RNA)
where:
Base-Base interactions energy: -103.330
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.137
local terms energy: -68.705561
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.845
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: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -169.782142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.782142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.782142 (E_RNA)
where:
Base-Base interactions energy: -110.134
where: short stacking energy: -45.315
Base-Backbone interact. energy: -0.328
local terms energy: -59.319807
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -122.445526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.445526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.445526 (E_RNA)
where:
Base-Base interactions energy: -64.077
where: short stacking energy: -38.235
Base-Backbone interact. energy: -0.023
local terms energy: -58.346057
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -92.704656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704656 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.565
local terms energy: -53.582595
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.445858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445858 (E_RNA)
where:
Base-Base interactions energy: -31.000
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.106
local terms energy: -53.340142
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -93.665007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.665007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.665007 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.085
local terms energy: -54.848977
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -78.033777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.033777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.033777 (E_RNA)
where:
Base-Base interactions energy: -30.123
where: short stacking energy: -18.847
Base-Backbone interact. energy: -0.375
local terms energy: -47.535987
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -217.137608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.137608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.137608 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.463
local terms energy: -74.331927
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -8.373
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: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -217.990999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.990999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.990999 (E_RNA)
where:
Base-Base interactions energy: -146.574
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.070
local terms energy: -71.347069
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -178.741467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.741467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.741467 (E_RNA)
where:
Base-Base interactions energy: -105.556
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.061
local terms energy: -73.125212
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -15.803
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -187.460469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.460469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.460469 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.546
local terms energy: -61.508872
where:
bonds (distance) C4'-P energy: -7.213
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.597
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: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -172.558148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.558148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.558148 (E_RNA)
where:
Base-Base interactions energy: -110.227
where: short stacking energy: -54.089
Base-Backbone interact. energy: 2.341
local terms energy: -64.672292
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -95.040014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.040014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.040014 (E_RNA)
where:
Base-Base interactions energy: -38.450
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.192
local terms energy: -56.398784
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -6.323
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -105.139560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139560 (E_RNA)
where:
Base-Base interactions energy: -50.535
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.151
local terms energy: -54.453569
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -96.627863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.627863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.627863 (E_RNA)
where:
Base-Base interactions energy: -49.486
where: short stacking energy: -28.871
Base-Backbone interact. energy: 0.221
local terms energy: -47.362580
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -6.929
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: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -76.276128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.276128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.276128 (E_RNA)
where:
Base-Base interactions energy: -27.949
where: short stacking energy: -27.949
Base-Backbone interact. energy: -1.107
local terms energy: -47.219973
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -79.394627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.394627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.394627 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -33.260
Base-Backbone interact. energy: -0.051
local terms energy: -45.624153
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -211.592400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.592400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.592400 (E_RNA)
where:
Base-Base interactions energy: -137.462
where: short stacking energy: -65.893
Base-Backbone interact. energy: -0.056
local terms energy: -74.075163
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -221.015541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.015541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.015541 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.218
local terms energy: -85.545121
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -195.377047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.377047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.377047 (E_RNA)
where:
Base-Base interactions energy: -118.472
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.064
local terms energy: -76.840609
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -19.785
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: 166
Temperature: 1.050000
Total energy: -169.629464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.629464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.629464 (E_RNA)
where:
Base-Base interactions energy: -107.455
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.047
local terms energy: -62.127472
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -167.575663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.575663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.575663 (E_RNA)
where:
Base-Base interactions energy: -108.953
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.277
local terms energy: -58.345760
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -12.215
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: 166
Temperature: 1.150000
Total energy: -94.175600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175600 (E_RNA)
where:
Base-Base interactions energy: -41.612
where: short stacking energy: -28.501
Base-Backbone interact. energy: -0.212
local terms energy: -52.351772
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -86.891855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.891855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.891855 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -33.557
Base-Backbone interact. energy: -0.263
local terms energy: -50.985288
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.699210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.699210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.699210 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.033
local terms energy: -44.588914
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.014
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: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -72.121705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.121705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.121705 (E_RNA)
where:
Base-Base interactions energy: -27.572
where: short stacking energy: -22.153
Base-Backbone interact. energy: 0.896
local terms energy: -45.445679
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.831213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.831213 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -25.704
Base-Backbone interact. energy: -0.521
local terms energy: -49.041172
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -218.607502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.607502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.607502 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.141
local terms energy: -75.536648
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -13.269
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -219.558421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.558421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.558421 (E_RNA)
where:
Base-Base interactions energy: -140.450
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.223
local terms energy: -78.885009
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -24.297
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -211.308332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.308332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.308332 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.099
local terms energy: -73.091088
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -176.806359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.806359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.806359 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.055
local terms energy: -59.442066
where:
bonds (distance) C4'-P energy: -6.352
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -179.328998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.328998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.328998 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.012
local terms energy: -64.038562
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.196
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -90.549224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549224 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.015
local terms energy: -50.326853
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -96.235852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.235852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.235852 (E_RNA)
where:
Base-Base interactions energy: -38.456
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.022
local terms energy: -57.757626
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -7.321
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -83.040258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040258 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.130
local terms energy: -48.192789
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -75.207677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.207677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.207677 (E_RNA)
where:
Base-Base interactions energy: -22.418
where: short stacking energy: -14.502
Base-Backbone interact. energy: -0.172
local terms energy: -52.616947
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -73.366186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.366186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.366186 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -21.673
Base-Backbone interact. energy: -0.317
local terms energy: -41.793373
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -215.063923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.063923 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.098
local terms energy: -81.570561
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -11.820
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: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -211.246277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.246277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.246277 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.104
local terms energy: -78.179867
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -205.473955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.473955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.473955 (E_RNA)
where:
Base-Base interactions energy: -134.717
where: short stacking energy: -68.411
Base-Backbone interact. energy: -0.020
local terms energy: -70.736199
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -179.111044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.111044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.111044 (E_RNA)
where:
Base-Base interactions energy: -107.432
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.081
local terms energy: -71.598710
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -14.937
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: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -181.399125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.399125 (E_RNA)
where:
Base-Base interactions energy: -110.675
where: short stacking energy: -52.872
Base-Backbone interact. energy: -0.010
local terms energy: -70.714695
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.932
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: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -95.767732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.767732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.767732 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.750
local terms energy: -62.900217
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.786
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -81.955114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.955114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.955114 (E_RNA)
where:
Base-Base interactions energy: -28.775
where: short stacking energy: -26.110
Base-Backbone interact. energy: 1.674
local terms energy: -54.853805
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -77.438621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.438621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.438621 (E_RNA)
where:
Base-Base interactions energy: -23.052
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.114
local terms energy: -54.272548
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -83.772595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.772595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.772595 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.001
local terms energy: -54.059627
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -75.354663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.354663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.354663 (E_RNA)
where:
Base-Base interactions energy: -21.673
where: short stacking energy: -20.998
Base-Backbone interact. energy: -0.395
local terms energy: -53.287202
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -4.325
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: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -216.127856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.127856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.127856 (E_RNA)
where:
Base-Base interactions energy: -138.937
where: short stacking energy: -63.623
Base-Backbone interact. energy: -0.023
local terms energy: -77.167346
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -222.474768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474768 (E_RNA)
where:
Base-Base interactions energy: -139.904
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.581
local terms energy: -81.989055
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -23.073
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: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -203.779480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.779480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.779480 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -56.403
Base-Backbone interact. energy: -0.135
local terms energy: -73.546712
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.686
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -179.390593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.390593 (E_RNA)
where:
Base-Base interactions energy: -111.235
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.012
local terms energy: -68.143867
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -164.001755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001755 (E_RNA)
where:
Base-Base interactions energy: -101.215
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.048
local terms energy: -62.738630
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -95.729662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729662 (E_RNA)
where:
Base-Base interactions energy: -41.627
where: short stacking energy: -35.114
Base-Backbone interact. energy: -0.231
local terms energy: -53.871201
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -105.146317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.146317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.146317 (E_RNA)
where:
Base-Base interactions energy: -53.030
where: short stacking energy: -25.648
Base-Backbone interact. energy: -0.113
local terms energy: -52.003701
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -6.433
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: 169
Temperature: 1.250000
Total energy: -82.261203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.261203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.261203 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.119
local terms energy: -55.641604
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -82.293432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.293432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.293432 (E_RNA)
where:
Base-Base interactions energy: -30.600
where: short stacking energy: -20.955
Base-Backbone interact. energy: -0.145
local terms energy: -51.548553
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -4.978
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: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -76.298846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.298846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.298846 (E_RNA)
where:
Base-Base interactions energy: -24.559
where: short stacking energy: -22.942
Base-Backbone interact. energy: 0.611
local terms energy: -52.350525
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -13.247
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: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -218.600979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.600979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.600979 (E_RNA)
where:
Base-Base interactions energy: -140.186
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.007
local terms energy: -78.407845
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.987
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: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -204.312522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.312522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.312522 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.602
local terms energy: -75.114167
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -183.347921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.347921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.347921 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.102
local terms energy: -63.892885
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -9.128
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: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -201.077362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.077362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.077362 (E_RNA)
where:
Base-Base interactions energy: -126.431
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.148
local terms energy: -74.498313
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -148.048768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.048768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.048768 (E_RNA)
where:
Base-Base interactions energy: -95.256
where: short stacking energy: -36.657
Base-Backbone interact. energy: 0.730
local terms energy: -53.523191
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -102.437709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.437709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.437709 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.106
local terms energy: -62.092982
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -6.610
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: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -98.347830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.347830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.347830 (E_RNA)
where:
Base-Base interactions energy: -44.460
where: short stacking energy: -23.947
Base-Backbone interact. energy: 0.205
local terms energy: -54.092703
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -97.362278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.362278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.362278 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -34.183
Base-Backbone interact. energy: 0.682
local terms energy: -59.276342
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -8.927
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: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -77.475589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.475589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.475589 (E_RNA)
where:
Base-Base interactions energy: -23.967
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.155
local terms energy: -53.353995
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -73.153783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.153783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.153783 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.017
local terms energy: -43.164132
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -223.850836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.850836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.850836 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -72.745
Base-Backbone interact. energy: -0.641
local terms energy: -82.544722
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -12.155
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: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -215.354139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.354139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.354139 (E_RNA)
where:
Base-Base interactions energy: -132.352
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.001
local terms energy: -83.000850
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -186.432905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.432905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.432905 (E_RNA)
where:
Base-Base interactions energy: -119.293
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.136
local terms energy: -67.003930
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.234
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: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -206.848108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.848108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.848108 (E_RNA)
where:
Base-Base interactions energy: -129.924
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.003
local terms energy: -76.921122
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -150.515492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.515492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.515492 (E_RNA)
where:
Base-Base interactions energy: -77.407
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.189
local terms energy: -72.919775
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.049
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -126.273629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.273629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.273629 (E_RNA)
where:
Base-Base interactions energy: -64.231
where: short stacking energy: -31.643
Base-Backbone interact. energy: -0.008
local terms energy: -62.034951
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -6.806
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: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -95.170666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.170666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.170666 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.073
local terms energy: -56.573703
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.166
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: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -72.225413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.225413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.225413 (E_RNA)
where:
Base-Base interactions energy: -23.344
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.175
local terms energy: -48.706391
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -76.489171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.489171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.489171 (E_RNA)
where:
Base-Base interactions energy: -28.827
where: short stacking energy: -18.850
Base-Backbone interact. energy: -0.488
local terms energy: -47.173669
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -73.812675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.812675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.812675 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.234
local terms energy: -45.791006
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -214.830851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.830851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.830851 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -70.586
Base-Backbone interact. energy: -0.015
local terms energy: -75.599002
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -215.134702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134702 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -64.610
Base-Backbone interact. energy: -1.430
local terms energy: -74.123282
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -13.035
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: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -224.788256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.788256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.788256 (E_RNA)
where:
Base-Base interactions energy: -139.630
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.017
local terms energy: -85.141317
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -180.356331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.356331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.356331 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -57.554
Base-Backbone interact. energy: 0.037
local terms energy: -67.539800
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -129.573037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.573037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.573037 (E_RNA)
where:
Base-Base interactions energy: -75.089
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.545
local terms energy: -53.938186
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -153.838915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.838915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.838915 (E_RNA)
where:
Base-Base interactions energy: -93.226
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.011
local terms energy: -60.602206
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -95.236133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.236133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.236133 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -37.368
Base-Backbone interact. energy: -0.139
local terms energy: -57.201641
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.356
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -86.988688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988688 (E_RNA)
where:
Base-Base interactions energy: -32.614
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.107
local terms energy: -54.267869
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -7.053
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: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -91.196983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.196983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.196983 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -25.851
Base-Backbone interact. energy: -0.382
local terms energy: -46.771788
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -72.296650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.296650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.296650 (E_RNA)
where:
Base-Base interactions energy: -19.692
where: short stacking energy: -19.692
Base-Backbone interact. energy: -0.048
local terms energy: -52.556266
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -223.640741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.640741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.640741 (E_RNA)
where:
Base-Base interactions energy: -144.244
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.465
local terms energy: -78.931316
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.749
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -210.922904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922904 (E_RNA)
where:
Base-Base interactions energy: -135.385
where: short stacking energy: -68.026
Base-Backbone interact. energy: 1.616
local terms energy: -77.153682
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -213.037292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.037292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.037292 (E_RNA)
where:
Base-Base interactions energy: -138.255
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.153
local terms energy: -74.629191
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -23.704
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -180.453665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.453665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.453665 (E_RNA)
where:
Base-Base interactions energy: -107.678
where: short stacking energy: -53.755
Base-Backbone interact. energy: -0.030
local terms energy: -72.744912
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -154.403987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.403987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.403987 (E_RNA)
where:
Base-Base interactions energy: -92.109
where: short stacking energy: -39.593
Base-Backbone interact. energy: 0.913
local terms energy: -63.207971
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -119.713075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.713075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.713075 (E_RNA)
where:
Base-Base interactions energy: -57.333
where: short stacking energy: -41.486
Base-Backbone interact. energy: -0.013
local terms energy: -62.366288
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -94.073196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.073196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.073196 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.533
local terms energy: -57.755408
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -10.368
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: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -90.859744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859744 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.138
local terms energy: -59.106783
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -73.948406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948406 (E_RNA)
where:
Base-Base interactions energy: -26.181
where: short stacking energy: -26.181
Base-Backbone interact. energy: -0.110
local terms energy: -47.657537
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -1.264
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: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -81.041813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041813 (E_RNA)
where:
Base-Base interactions energy: -26.941
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.144
local terms energy: -53.956644
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -224.408407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.408407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.408407 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.013
local terms energy: -78.728847
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -209.478825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.478825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.478825 (E_RNA)
where:
Base-Base interactions energy: -134.728
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.077
local terms energy: -74.673821
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -195.351727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.351727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.351727 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.085
local terms energy: -72.190248
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -205.227036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.227036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227036 (E_RNA)
where:
Base-Base interactions energy: -135.740
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.693
local terms energy: -68.793559
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -167.816797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.816797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.816797 (E_RNA)
where:
Base-Base interactions energy: -106.473
where: short stacking energy: -47.603
Base-Backbone interact. energy: -0.121
local terms energy: -61.222759
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -134.691367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.691367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.691367 (E_RNA)
where:
Base-Base interactions energy: -78.630
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.532
local terms energy: -55.528900
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -6.642
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: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -99.386245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.386245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.386245 (E_RNA)
where:
Base-Base interactions energy: -40.651
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.241
local terms energy: -58.494861
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -6.458
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -77.678725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.678725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.678725 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.736
local terms energy: -48.913251
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.934824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934824 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -27.520
Base-Backbone interact. energy: -1.003
local terms energy: -48.934291
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -75.097470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.097470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.097470 (E_RNA)
where:
Base-Base interactions energy: -26.279
where: short stacking energy: -17.411
Base-Backbone interact. energy: -0.249
local terms energy: -48.570219
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -222.896146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.896146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.896146 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -69.145
Base-Backbone interact. energy: -0.033
local terms energy: -78.569038
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -212.671119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.671119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.671119 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.071
local terms energy: -79.994689
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -190.577033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.577033 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -51.341
Base-Backbone interact. energy: -0.061
local terms energy: -74.988839
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -16.456
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: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -174.294331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.294331 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -50.021
Base-Backbone interact. energy: -0.281
local terms energy: -66.987586
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.028
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: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -191.838256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.838256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.838256 (E_RNA)
where:
Base-Base interactions energy: -124.304
where: short stacking energy: -59.595
Base-Backbone interact. energy: -1.057
local terms energy: -66.476694
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -20.165
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: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -144.828416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.828416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.828416 (E_RNA)
where:
Base-Base interactions energy: -78.729
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.093
local terms energy: -66.006899
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -107.445795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.445795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.445795 (E_RNA)
where:
Base-Base interactions energy: -57.802
where: short stacking energy: -39.169
Base-Backbone interact. energy: 0.036
local terms energy: -49.680088
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -84.996459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.996459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.996459 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.020
local terms energy: -53.471493
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -11.565
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: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -86.334583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.334583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.334583 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.084
local terms energy: -52.829645
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -87.711546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711546 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.440
local terms energy: -44.323717
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -224.384072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.384072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.384072 (E_RNA)
where:
Base-Base interactions energy: -140.794
where: short stacking energy: -68.966
Base-Backbone interact. energy: -1.204
local terms energy: -82.386187
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -23.516
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: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -215.857503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857503 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.384
local terms energy: -76.087473
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -11.944
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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -178.302776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.302776 (E_RNA)
where:
Base-Base interactions energy: -105.560
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.248
local terms energy: -72.494632
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -14.586
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: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -189.703279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.703279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.703279 (E_RNA)
where:
Base-Base interactions energy: -114.461
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.008
local terms energy: -75.233872
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.536
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: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -162.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.993593 (E_RNA)
where:
Base-Base interactions energy: -99.992
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.013
local terms energy: -62.988498
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.403
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: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -150.375398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.375398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.375398 (E_RNA)
where:
Base-Base interactions energy: -84.499
where: short stacking energy: -44.941
Base-Backbone interact. energy: -0.010
local terms energy: -65.866729
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -89.183354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.183354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.183354 (E_RNA)
where:
Base-Base interactions energy: -33.188
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.040
local terms energy: -55.955186
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -5.774
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: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -86.083302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.083302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.083302 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -33.710
Base-Backbone interact. energy: -1.136
local terms energy: -48.924239
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -74.907255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.907255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.907255 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -18.824
Base-Backbone interact. energy: 2.239
local terms energy: -41.597814
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -78.726775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.726775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.726775 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.157
local terms energy: -50.837318
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -218.595902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.595902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.595902 (E_RNA)
where:
Base-Base interactions energy: -138.891
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.400
local terms energy: -79.304825
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.586
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -171.328808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.328808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.328808 (E_RNA)
where:
Base-Base interactions energy: -104.742
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.043
local terms energy: -66.543769
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -13.140
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -206.938324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.938324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.938324 (E_RNA)
where:
Base-Base interactions energy: -132.141
where: short stacking energy: -55.354
Base-Backbone interact. energy: 1.048
local terms energy: -75.845239
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -157.280661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.280661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.280661 (E_RNA)
where:
Base-Base interactions energy: -89.216
where: short stacking energy: -49.360
Base-Backbone interact. energy: -0.715
local terms energy: -67.349562
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -187.832791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.832791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832791 (E_RNA)
where:
Base-Base interactions energy: -115.760
where: short stacking energy: -56.703
Base-Backbone interact. energy: 2.111
local terms energy: -74.184005
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -153.110832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.110832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110832 (E_RNA)
where:
Base-Base interactions energy: -98.798
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.093
local terms energy: -54.219783
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.880
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: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -78.504921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.504921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.504921 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.181
local terms energy: -49.269965
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -79.474751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.474751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.474751 (E_RNA)
where:
Base-Base interactions energy: -26.976
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.119
local terms energy: -52.379622
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -83.788552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788552 (E_RNA)
where:
Base-Base interactions energy: -31.733
where: short stacking energy: -30.592
Base-Backbone interact. energy: -1.874
local terms energy: -50.181410
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -69.121915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.121915 (E_RNA)
where:
Base-Base interactions energy: -31.402
where: short stacking energy: -17.673
Base-Backbone interact. energy: -1.023
local terms energy: -36.696433
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: 4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -223.168863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.168863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.168863 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -69.281
Base-Backbone interact. energy: 0.742
local terms energy: -81.825853
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -209.416902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.416902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.416902 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -72.704
Base-Backbone interact. energy: -0.499
local terms energy: -77.859368
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -19.360
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: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -211.492524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.492524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.492524 (E_RNA)
where:
Base-Base interactions energy: -136.469
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.026
local terms energy: -74.996834
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -188.294870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.294870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.294870 (E_RNA)
where:
Base-Base interactions energy: -116.198
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.004
local terms energy: -72.093158
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.802
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -186.946371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.946371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.946371 (E_RNA)
where:
Base-Base interactions energy: -112.628
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.010
local terms energy: -74.309212
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -14.367
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -131.964817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.964817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.964817 (E_RNA)
where:
Base-Base interactions energy: -74.712
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.227
local terms energy: -57.025466
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -88.354491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.354491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.354491 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.026
local terms energy: -51.615996
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -78.667240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667240 (E_RNA)
where:
Base-Base interactions energy: -33.313
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.017
local terms energy: -45.336480
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -77.589827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589827 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -12.429
Base-Backbone interact. energy: -0.270
local terms energy: -45.935081
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -74.343255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.343255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.343255 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -18.472
Base-Backbone interact. energy: -0.118
local terms energy: -47.667585
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -207.073885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.073885 (E_RNA)
where:
Base-Base interactions energy: -132.106
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.047
local terms energy: -74.920507
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -205.686225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.686225 (E_RNA)
where:
Base-Base interactions energy: -127.468
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.000
local terms energy: -78.218240
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -208.972824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.972824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.972824 (E_RNA)
where:
Base-Base interactions energy: -131.265
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.091
local terms energy: -77.616408
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -21.553
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: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -178.187814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.187814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.187814 (E_RNA)
where:
Base-Base interactions energy: -110.648
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.002
local terms energy: -67.538192
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -6.880
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: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -183.533827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.533827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533827 (E_RNA)
where:
Base-Base interactions energy: -112.387
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.117
local terms energy: -71.029744
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -152.805264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.805264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.805264 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.636
local terms energy: -63.117859
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -91.811278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.811278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.811278 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -34.221
Base-Backbone interact. energy: -0.381
local terms energy: -57.209336
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -82.071439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.071439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.071439 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -16.050
Base-Backbone interact. energy: -0.296
local terms energy: -48.287664
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -0.893
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: 179
Temperature: 1.300000
Total energy: -77.129488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129488 (E_RNA)
where:
Base-Base interactions energy: -26.470
where: short stacking energy: -18.799
Base-Backbone interact. energy: -0.038
local terms energy: -50.621616
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: 3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -69.369763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.369763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.369763 (E_RNA)
where:
Base-Base interactions energy: -23.109
where: short stacking energy: -19.066
Base-Backbone interact. energy: -0.034
local terms energy: -46.227175
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -0.103
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -200.111873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.111873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111873 (E_RNA)
where:
Base-Base interactions energy: -120.718
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.009
local terms energy: -79.385207
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -11.914
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: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -209.680776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.680776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.680776 (E_RNA)
where:
Base-Base interactions energy: -132.066
where: short stacking energy: -57.586
Base-Backbone interact. energy: 0.558
local terms energy: -78.172625
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -183.484455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.484455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.484455 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.001
local terms energy: -73.689486
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -191.671625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.671625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.671625 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -57.301
Base-Backbone interact. energy: -0.027
local terms energy: -66.598443
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -169.831480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.831480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.831480 (E_RNA)
where:
Base-Base interactions energy: -109.840
where: short stacking energy: -44.993
Base-Backbone interact. energy: -0.143
local terms energy: -59.849044
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -11.146
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: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -167.824520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.824520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.824520 (E_RNA)
where:
Base-Base interactions energy: -104.638
where: short stacking energy: -53.592
Base-Backbone interact. energy: -0.132
local terms energy: -63.055127
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.032
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: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -91.765921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.765921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.765921 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.003
local terms energy: -53.349637
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -83.783650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.783650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.783650 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -21.572
Base-Backbone interact. energy: -0.037
local terms energy: -47.971781
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -77.753681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.753681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.753681 (E_RNA)
where:
Base-Base interactions energy: -21.542
where: short stacking energy: -21.542
Base-Backbone interact. energy: -0.193
local terms energy: -56.019380
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.964540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964540 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.560
local terms energy: -49.395074
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -193.633726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.633726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.633726 (E_RNA)
where:
Base-Base interactions energy: -118.566
where: short stacking energy: -59.542
Base-Backbone interact. energy: 0.687
local terms energy: -75.754818
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -13.188
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: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -207.437667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.437667 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.161
local terms energy: -70.237447
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -5.695
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -190.098716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.098716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098716 (E_RNA)
where:
Base-Base interactions energy: -118.980
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.008
local terms energy: -71.110521
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -169.183983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.183983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.183983 (E_RNA)
where:
Base-Base interactions energy: -99.871
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.064
local terms energy: -69.248971
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -188.054203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.054203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.054203 (E_RNA)
where:
Base-Base interactions energy: -111.742
where: short stacking energy: -51.084
Base-Backbone interact. energy: -0.063
local terms energy: -76.249726
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -167.737143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.737143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.737143 (E_RNA)
where:
Base-Base interactions energy: -101.516
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.019
local terms energy: -66.202304
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.584
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -85.567200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567200 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -31.820
Base-Backbone interact. energy: -0.117
local terms energy: -53.630362
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -84.569715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.569715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.569715 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.854
local terms energy: -54.700681
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -74.524633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.524633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.524633 (E_RNA)
where:
Base-Base interactions energy: -22.642
where: short stacking energy: -21.707
Base-Backbone interact. energy: -0.049
local terms energy: -51.834133
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -72.912384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.912384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.912384 (E_RNA)
where:
Base-Base interactions energy: -25.328
where: short stacking energy: -19.939
Base-Backbone interact. energy: -0.846
local terms energy: -46.738856
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -215.826852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.826852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.826852 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.091
local terms energy: -78.756475
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.081
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: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -200.616644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.616644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.616644 (E_RNA)
where:
Base-Base interactions energy: -124.157
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.000
local terms energy: -76.459195
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -165.393696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.393696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.393696 (E_RNA)
where:
Base-Base interactions energy: -101.888
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.110
local terms energy: -63.396143
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -187.372143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372143 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.002
local terms energy: -72.875835
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -181.204225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.204225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.204225 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.096
local terms energy: -72.412360
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -12.363
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: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -165.806206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.806206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.806206 (E_RNA)
where:
Base-Base interactions energy: -98.818
where: short stacking energy: -45.713
Base-Backbone interact. energy: -0.267
local terms energy: -66.720627
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -86.327958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327958 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.012
local terms energy: -57.227714
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -81.686366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686366 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.435
local terms energy: -41.236226
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -84.980608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.980608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.980608 (E_RNA)
where:
Base-Base interactions energy: -33.993
where: short stacking energy: -25.570
Base-Backbone interact. energy: -0.243
local terms energy: -50.744142
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -72.825516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.825516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.825516 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -25.638
Base-Backbone interact. energy: 4.331
local terms energy: -47.709090
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -219.164404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.164404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.164404 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -69.191
Base-Backbone interact. energy: -0.552
local terms energy: -72.958456
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -200.024605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.024605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.024605 (E_RNA)
where:
Base-Base interactions energy: -121.370
where: short stacking energy: -68.374
Base-Backbone interact. energy: -0.010
local terms energy: -78.644538
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -20.344
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: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -192.794217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.794217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.794217 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -56.987
Base-Backbone interact. energy: -0.004
local terms energy: -76.927338
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -21.834
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: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -197.813730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813730 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.253
local terms energy: -71.335614
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -174.385107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.385107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.385107 (E_RNA)
where:
Base-Base interactions energy: -105.306
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.103
local terms energy: -68.975770
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -169.017797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.017797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.017797 (E_RNA)
where:
Base-Base interactions energy: -105.261
where: short stacking energy: -49.853
Base-Backbone interact. energy: -0.514
local terms energy: -63.242521
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -11.549
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: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -84.813585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813585 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.158
local terms energy: -49.550804
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -86.412592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.412592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.412592 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.620
local terms energy: -49.287111
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -9.301
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: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -75.863384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863384 (E_RNA)
where:
Base-Base interactions energy: -27.615
where: short stacking energy: -20.232
Base-Backbone interact. energy: -0.037
local terms energy: -48.210839
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: 2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -71.176543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.176543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.176543 (E_RNA)
where:
Base-Base interactions energy: -26.979
where: short stacking energy: -26.979
Base-Backbone interact. energy: 0.182
local terms energy: -44.379924
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -202.363294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.363294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.363294 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.001
local terms energy: -73.906082
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -207.725214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.725214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.725214 (E_RNA)
where:
Base-Base interactions energy: -132.093
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.043
local terms energy: -75.589367
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.420
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: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -185.670960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.670960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.670960 (E_RNA)
where:
Base-Base interactions energy: -119.943
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.130
local terms energy: -65.597600
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.922
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: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -183.964429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.964429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.964429 (E_RNA)
where:
Base-Base interactions energy: -112.690
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.004
local terms energy: -71.270491
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -17.435
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: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -186.000918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.000918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.000918 (E_RNA)
where:
Base-Base interactions energy: -112.516
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.002
local terms energy: -73.482759
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.297
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: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -171.032636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.032636 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -42.290
Base-Backbone interact. energy: -0.001
local terms energy: -72.046206
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -82.276953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276953 (E_RNA)
where:
Base-Base interactions energy: -25.146
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.147
local terms energy: -56.984337
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -74.729743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.729743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.729743 (E_RNA)
where:
Base-Base interactions energy: -23.532
where: short stacking energy: -23.532
Base-Backbone interact. energy: -0.071
local terms energy: -51.125912
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -0.646
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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -75.491862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.491862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.491862 (E_RNA)
where:
Base-Base interactions energy: -29.581
where: short stacking energy: -22.182
Base-Backbone interact. energy: 0.775
local terms energy: -46.685557
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -2.932
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: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -70.396909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.396909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.396909 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.203
local terms energy: -39.821496
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: 2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -202.861717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861717 (E_RNA)
where:
Base-Base interactions energy: -122.941
where: short stacking energy: -66.711
Base-Backbone interact. energy: 0.227
local terms energy: -80.147938
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -21.606
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -187.141728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.141728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.141728 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -56.189
Base-Backbone interact. energy: 1.441
local terms energy: -66.813996
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -14.386
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: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -207.666379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.666379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.666379 (E_RNA)
where:
Base-Base interactions energy: -132.061
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.157
local terms energy: -75.448375
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -19.221
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: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -185.704427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.704427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704427 (E_RNA)
where:
Base-Base interactions energy: -119.548
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.114
local terms energy: -66.042591
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -171.704769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.704769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.704769 (E_RNA)
where:
Base-Base interactions energy: -111.943
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.096
local terms energy: -59.666515
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -160.965455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.965455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.965455 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.117
local terms energy: -63.644240
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -8.245
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: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -90.085967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.085967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.085967 (E_RNA)
where:
Base-Base interactions energy: -31.914
where: short stacking energy: -29.247
Base-Backbone interact. energy: -0.660
local terms energy: -57.512697
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -7.718
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -79.666908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.666908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.666908 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -25.867
Base-Backbone interact. energy: 1.366
local terms energy: -47.725693
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -74.609475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.609475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.609475 (E_RNA)
where:
Base-Base interactions energy: -23.339
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.597
local terms energy: -50.673339
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -72.811349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.811349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.811349 (E_RNA)
where:
Base-Base interactions energy: -26.571
where: short stacking energy: -26.571
Base-Backbone interact. energy: -0.251
local terms energy: -45.989425
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: 4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -194.669687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.669687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669687 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.007
local terms energy: -67.851170
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -18.010
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -200.060919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.060919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060919 (E_RNA)
where:
Base-Base interactions energy: -124.152
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.006
local terms energy: -75.903360
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -211.431720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.431720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.431720 (E_RNA)
where:
Base-Base interactions energy: -132.527
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.698
local terms energy: -78.206940
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -20.643
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: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -197.148151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.148151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.148151 (E_RNA)
where:
Base-Base interactions energy: -131.306
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.037
local terms energy: -65.805514
where:
bonds (distance) C4'-P energy: -8.649
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -7.230
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: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -186.411325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.411325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.411325 (E_RNA)
where:
Base-Base interactions energy: -119.506
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.980
local terms energy: -65.925700
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -17.914
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: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -159.959249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.959249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.959249 (E_RNA)
where:
Base-Base interactions energy: -107.540
where: short stacking energy: -42.533
Base-Backbone interact. energy: 0.075
local terms energy: -52.493325
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -88.822324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.822324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.822324 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -27.938
Base-Backbone interact. energy: -0.042
local terms energy: -54.281262
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -84.201681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.201681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.201681 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -29.056
Base-Backbone interact. energy: 0.996
local terms energy: -56.141355
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -71.491882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.491882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.491882 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -33.554
Base-Backbone interact. energy: 5.774
local terms energy: -40.417824
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.396273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.396273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.396273 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.239
local terms energy: -50.055695
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -197.337475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.337475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.337475 (E_RNA)
where:
Base-Base interactions energy: -122.893
where: short stacking energy: -65.044
Base-Backbone interact. energy: 0.698
local terms energy: -75.142301
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -214.369801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369801 (E_RNA)
where:
Base-Base interactions energy: -137.205
where: short stacking energy: -61.302
Base-Backbone interact. energy: -2.244
local terms energy: -74.921022
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -23.299
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: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -183.753210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.753210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.753210 (E_RNA)
where:
Base-Base interactions energy: -108.157
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.068
local terms energy: -75.528175
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -18.802
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -190.499311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499311 (E_RNA)
where:
Base-Base interactions energy: -118.978
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.452
local terms energy: -71.068867
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -154.780079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.780079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.780079 (E_RNA)
where:
Base-Base interactions energy: -95.660
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.592
local terms energy: -58.528494
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -8.365
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -141.009062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.009062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.009062 (E_RNA)
where:
Base-Base interactions energy: -87.733
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.189
local terms energy: -53.086953
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -9.045
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: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -93.372699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.372699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.372699 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -31.567
Base-Backbone interact. energy: -0.620
local terms energy: -56.877488
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -8.466
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: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -79.259020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.259020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.259020 (E_RNA)
where:
Base-Base interactions energy: -23.392
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.220
local terms energy: -55.647229
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -81.592046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592046 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -20.153
Base-Backbone interact. energy: -0.346
local terms energy: -48.315027
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -70.611714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.611714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.611714 (E_RNA)
where:
Base-Base interactions energy: -17.548
where: short stacking energy: -16.796
Base-Backbone interact. energy: -0.139
local terms energy: -52.925301
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -0.088
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: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -223.833905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.833905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.833905 (E_RNA)
where:
Base-Base interactions energy: -142.802
where: short stacking energy: -70.759
Base-Backbone interact. energy: 0.726
local terms energy: -81.757900
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -207.742278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.742278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.742278 (E_RNA)
where:
Base-Base interactions energy: -129.961
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.571
local terms energy: -77.210160
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -211.935631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935631 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.123
local terms energy: -73.008486
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -179.826048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.826048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.826048 (E_RNA)
where:
Base-Base interactions energy: -119.938
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.089
local terms energy: -59.799686
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.743
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: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -168.214965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.214965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.214965 (E_RNA)
where:
Base-Base interactions energy: -102.909
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.325
local terms energy: -64.981372
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -170.777842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.777842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.777842 (E_RNA)
where:
Base-Base interactions energy: -104.955
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.104
local terms energy: -65.719569
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.260
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -97.186872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.186872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.186872 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.147
local terms energy: -52.329148
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -103.314351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.314351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.314351 (E_RNA)
where:
Base-Base interactions energy: -51.199
where: short stacking energy: -28.011
Base-Backbone interact. energy: -1.371
local terms energy: -50.744907
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -79.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968758 (E_RNA)
where:
Base-Base interactions energy: -36.433
where: short stacking energy: -31.154
Base-Backbone interact. energy: 0.759
local terms energy: -44.294829
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -88.237913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.237913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.237913 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.107
local terms energy: -51.992813
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -220.353990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353990 (E_RNA)
where:
Base-Base interactions energy: -139.592
where: short stacking energy: -65.320
Base-Backbone interact. energy: -0.039
local terms energy: -80.723073
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -214.579579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.579579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.579579 (E_RNA)
where:
Base-Base interactions energy: -137.645
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.010
local terms energy: -76.924540
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -211.613410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.613410 (E_RNA)
where:
Base-Base interactions energy: -133.150
where: short stacking energy: -63.635
Base-Backbone interact. energy: -0.042
local terms energy: -78.420696
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -176.931689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.931689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.931689 (E_RNA)
where:
Base-Base interactions energy: -106.784
where: short stacking energy: -48.393
Base-Backbone interact. energy: -0.027
local terms energy: -70.120291
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -8.850
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -180.814282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.814282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.814282 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.022
local terms energy: -70.703803
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -174.053533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.053533 (E_RNA)
where:
Base-Base interactions energy: -109.001
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.007
local terms energy: -65.045913
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -93.268098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268098 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -39.169
Base-Backbone interact. energy: -0.177
local terms energy: -53.922336
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -88.062160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.062160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.062160 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -31.382
Base-Backbone interact. energy: -0.443
local terms energy: -55.645118
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -5.621
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: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.394844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394844 (E_RNA)
where:
Base-Base interactions energy: -37.434
where: short stacking energy: -17.745
Base-Backbone interact. energy: -0.396
local terms energy: -52.565036
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -64.980830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.980830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.980830 (E_RNA)
where:
Base-Base interactions energy: -16.066
where: short stacking energy: -15.698
Base-Backbone interact. energy: 0.204
local terms energy: -49.119134
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.415
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: 190
Temperature: 0.900000
Total energy: -217.616185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.616185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.616185 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -64.413
Base-Backbone interact. energy: -0.064
local terms energy: -78.638405
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -215.396200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.396200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.396200 (E_RNA)
where:
Base-Base interactions energy: -140.945
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.456
local terms energy: -73.994321
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -10.750
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -180.943311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.943311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.943311 (E_RNA)
where:
Base-Base interactions energy: -107.792
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.187
local terms energy: -72.964755
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.575
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: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -203.928208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.928208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.928208 (E_RNA)
where:
Base-Base interactions energy: -134.648
where: short stacking energy: -60.919
Base-Backbone interact. energy: -1.125
local terms energy: -68.154677
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -183.918757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.918757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918757 (E_RNA)
where:
Base-Base interactions energy: -114.418
where: short stacking energy: -58.232
Base-Backbone interact. energy: -0.159
local terms energy: -69.341524
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -17.071
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: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -174.508324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.508324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.508324 (E_RNA)
where:
Base-Base interactions energy: -107.128
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.084
local terms energy: -67.295986
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -92.654113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.654113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.654113 (E_RNA)
where:
Base-Base interactions energy: -42.338
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.138
local terms energy: -50.178288
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -85.079144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079144 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.097
local terms energy: -49.319202
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -86.446599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.446599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.446599 (E_RNA)
where:
Base-Base interactions energy: -31.845
where: short stacking energy: -23.916
Base-Backbone interact. energy: -0.089
local terms energy: -54.512456
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -70.575134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.575134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.575134 (E_RNA)
where:
Base-Base interactions energy: -21.452
where: short stacking energy: -18.477
Base-Backbone interact. energy: -0.343
local terms energy: -48.780248
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -7.376
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -218.191114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191114 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.342
local terms energy: -80.674979
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -206.260371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.260371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.260371 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -63.737
Base-Backbone interact. energy: -0.082
local terms energy: -78.110091
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -189.986204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986204 (E_RNA)
where:
Base-Base interactions energy: -113.391
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.000
local terms energy: -76.594931
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -195.263679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.263679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.263679 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.023
local terms energy: -72.163717
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -181.414175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.414175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.414175 (E_RNA)
where:
Base-Base interactions energy: -112.132
where: short stacking energy: -54.085
Base-Backbone interact. energy: 0.902
local terms energy: -70.183932
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.313
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: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -166.463487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.463487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.463487 (E_RNA)
where:
Base-Base interactions energy: -96.503
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.007
local terms energy: -69.954040
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -8.730
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -95.173562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173562 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -29.862
Base-Backbone interact. energy: 0.482
local terms energy: -57.405853
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -7.437
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -86.212952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.212952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.212952 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -30.576
Base-Backbone interact. energy: -0.309
local terms energy: -48.780758
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -80.639276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.639276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.639276 (E_RNA)
where:
Base-Base interactions energy: -24.723
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.162
local terms energy: -55.754289
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -90.177729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.177729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.177729 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.822
Base-Backbone interact. energy: 1.152
local terms energy: -53.507487
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -218.118891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.118891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.118891 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.709
local terms energy: -73.624379
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -214.767758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.767758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.767758 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.230
local terms energy: -79.138785
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -192.931451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.931451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931451 (E_RNA)
where:
Base-Base interactions energy: -129.691
where: short stacking energy: -55.096
Base-Backbone interact. energy: 0.923
local terms energy: -64.162916
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -186.486891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.486891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.486891 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.307
local terms energy: -71.292850
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -9.219
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: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -183.437972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.437972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.437972 (E_RNA)
where:
Base-Base interactions energy: -112.724
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.001
local terms energy: -70.713277
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -138.615873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.615873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.615873 (E_RNA)
where:
Base-Base interactions energy: -73.965
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.357
local terms energy: -64.294588
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.864
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: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -89.926251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926251 (E_RNA)
where:
Base-Base interactions energy: -46.507
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.075
local terms energy: -43.344560
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -94.292604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.292604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.292604 (E_RNA)
where:
Base-Base interactions energy: -49.777
where: short stacking energy: -23.968
Base-Backbone interact. energy: -0.353
local terms energy: -44.162938
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -83.921790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.921790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.921790 (E_RNA)
where:
Base-Base interactions energy: -33.432
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.121
local terms energy: -50.369063
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -81.828383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.828383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.828383 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.281
local terms energy: -48.354350
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -7.196
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: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -220.745677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.745677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.745677 (E_RNA)
where:
Base-Base interactions energy: -140.079
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.080
local terms energy: -80.586825
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -192.390587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.390587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.390587 (E_RNA)
where:
Base-Base interactions energy: -128.026
where: short stacking energy: -52.417
Base-Backbone interact. energy: 0.251
local terms energy: -64.616144
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -211.743020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.743020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.743020 (E_RNA)
where:
Base-Base interactions energy: -128.438
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.030
local terms energy: -83.275086
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -14.809
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: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -188.977051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.977051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.977051 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.813
local terms energy: -72.746308
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -177.920929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.920929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920929 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.132
local terms energy: -69.382887
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -14.548
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: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -127.855990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.855990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.855990 (E_RNA)
where:
Base-Base interactions energy: -68.353
where: short stacking energy: -35.401
Base-Backbone interact. energy: -0.480
local terms energy: -59.023483
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -89.147025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147025 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.067
local terms energy: -56.869920
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -81.056190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.056190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.056190 (E_RNA)
where:
Base-Base interactions energy: -24.798
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.183
local terms energy: -56.075670
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -83.004514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004514 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -20.440
Base-Backbone interact. energy: -0.329
local terms energy: -45.137961
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: 3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -77.084114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.084114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.084114 (E_RNA)
where:
Base-Base interactions energy: -30.688
where: short stacking energy: -30.688
Base-Backbone interact. energy: -0.129
local terms energy: -46.267119
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -204.519209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519209 (E_RNA)
where:
Base-Base interactions energy: -131.501
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.081
local terms energy: -72.936778
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -16.969
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: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -187.445956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.445956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.445956 (E_RNA)
where:
Base-Base interactions energy: -115.874
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.013
local terms energy: -71.558350
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -13.145
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -211.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115994 (E_RNA)
where:
Base-Base interactions energy: -134.227
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.073
local terms energy: -76.815704
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -207.162814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.162814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.162814 (E_RNA)
where:
Base-Base interactions energy: -129.576
where: short stacking energy: -65.308
Base-Backbone interact. energy: -1.143
local terms energy: -76.443762
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -189.065866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065866 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.003
local terms energy: -78.313009
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -12.866
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: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -91.259248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259248 (E_RNA)
where:
Base-Base interactions energy: -41.729
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.057
local terms energy: -49.472985
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -7.279
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -94.736164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.736164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.736164 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -29.795
Base-Backbone interact. energy: 0.487
local terms energy: -63.443996
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -83.823994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.823994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.823994 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -33.087
Base-Backbone interact. energy: -0.120
local terms energy: -50.616331
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -80.897159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897159 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.047
local terms energy: -55.193206
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.720
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: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -81.457219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.457219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.457219 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -17.676
Base-Backbone interact. energy: -0.458
local terms energy: -38.944487
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -220.993450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.993450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993450 (E_RNA)
where:
Base-Base interactions energy: -142.206
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.241
local terms energy: -78.546962
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -215.055874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.055874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.055874 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.057
local terms energy: -76.137842
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -177.184394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.184394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.184394 (E_RNA)
where:
Base-Base interactions energy: -111.912
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.128
local terms energy: -65.143699
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -202.385563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.385563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.385563 (E_RNA)
where:
Base-Base interactions energy: -131.555
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.476
local terms energy: -70.354409
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -178.369980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.369980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.369980 (E_RNA)
where:
Base-Base interactions energy: -109.947
where: short stacking energy: -54.770
Base-Backbone interact. energy: -0.037
local terms energy: -68.385562
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -121.603982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.603982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.603982 (E_RNA)
where:
Base-Base interactions energy: -75.150
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.192
local terms energy: -46.261683
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -81.643576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643576 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -31.980
Base-Backbone interact. energy: 0.021
local terms energy: -49.359313
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -85.588277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.588277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.588277 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -21.322
Base-Backbone interact. energy: -0.006
local terms energy: -58.856977
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -84.243409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243409 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -17.184
Base-Backbone interact. energy: -0.389
local terms energy: -46.597510
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -76.455126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.455126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.455126 (E_RNA)
where:
Base-Base interactions energy: -25.700
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.168
local terms energy: -50.587644
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -1.256
tors. eta vs tors. theta energy: -8.990
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: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -225.510387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.510387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510387 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -62.979
Base-Backbone interact. energy: -0.049
local terms energy: -81.295846
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.632
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -211.307483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.307483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.307483 (E_RNA)
where:
Base-Base interactions energy: -140.329
where: short stacking energy: -65.841
Base-Backbone interact. energy: -0.009
local terms energy: -70.969248
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -191.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.018173 (E_RNA)
where:
Base-Base interactions energy: -115.096
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.277
local terms energy: -75.645156
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -195.971596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.971596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.971596 (E_RNA)
where:
Base-Base interactions energy: -124.325
where: short stacking energy: -53.576
Base-Backbone interact. energy: -0.138
local terms energy: -71.509291
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -159.405760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.405760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.405760 (E_RNA)
where:
Base-Base interactions energy: -95.598
where: short stacking energy: -44.136
Base-Backbone interact. energy: -0.097
local terms energy: -63.710502
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -190.552050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552050 (E_RNA)
where:
Base-Base interactions energy: -119.065
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.020
local terms energy: -71.467697
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -6.050
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: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -85.614010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614010 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.125
local terms energy: -54.368688
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -78.205880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.205880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.205880 (E_RNA)
where:
Base-Base interactions energy: -15.960
where: short stacking energy: -15.876
Base-Backbone interact. energy: -0.037
local terms energy: -62.208659
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -71.679989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.679989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.679989 (E_RNA)
where:
Base-Base interactions energy: -23.598
where: short stacking energy: -18.710
Base-Backbone interact. energy: -0.162
local terms energy: -47.919872
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.598338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.598338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.598338 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -13.374
Base-Backbone interact. energy: -0.882
local terms energy: -44.788165
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -8.000
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -224.810995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.810995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.810995 (E_RNA)
where:
Base-Base interactions energy: -136.478
where: short stacking energy: -66.271
Base-Backbone interact. energy: -0.785
local terms energy: -87.547246
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -193.553638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.553638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.553638 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.097
local terms energy: -76.559815
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.892
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: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -199.632863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.632863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.632863 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.390
local terms energy: -70.565921
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -13.767
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: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -203.558594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.558594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.558594 (E_RNA)
where:
Base-Base interactions energy: -125.169
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.041
local terms energy: -78.348486
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -20.535
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: 197
Temperature: 1.100000
Total energy: -184.271917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271917 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -53.867
Base-Backbone interact. energy: -0.025
local terms energy: -70.658899
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.052
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: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -176.111991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.111991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.111991 (E_RNA)
where:
Base-Base interactions energy: -104.207
where: short stacking energy: -49.245
Base-Backbone interact. energy: -0.011
local terms energy: -71.893958
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.791
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: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -92.557437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.557437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.557437 (E_RNA)
where:
Base-Base interactions energy: -42.159
where: short stacking energy: -27.613
Base-Backbone interact. energy: 1.006
local terms energy: -51.404461
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -81.196631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.196631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.196631 (E_RNA)
where:
Base-Base interactions energy: -27.778
where: short stacking energy: -25.795
Base-Backbone interact. energy: -0.087
local terms energy: -53.331476
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -77.544556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.544556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.544556 (E_RNA)
where:
Base-Base interactions energy: -23.458
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.256
local terms energy: -53.830299
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -68.664389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.664389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.664389 (E_RNA)
where:
Base-Base interactions energy: -19.157
where: short stacking energy: -19.157
Base-Backbone interact. energy: -0.192
local terms energy: -49.315729
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -199.975669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975669 (E_RNA)
where:
Base-Base interactions energy: -124.097
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.029
local terms energy: -75.850112
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -218.689460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689460 (E_RNA)
where:
Base-Base interactions energy: -138.855
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.027
local terms energy: -79.807308
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -24.233
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -209.305625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.305625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.305625 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.753
local terms energy: -71.785351
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -197.876849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876849 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.080
local terms energy: -70.710787
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -179.511861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.511861 (E_RNA)
where:
Base-Base interactions energy: -113.559
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.071
local terms energy: -65.881956
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -194.559021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.559021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.559021 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.373
local terms energy: -62.391548
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -90.657856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.657856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.657856 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.208
local terms energy: -53.059711
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -100.384996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.384996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.384996 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.184
local terms energy: -58.238734
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -75.337038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.337038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.337038 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -20.456
Base-Backbone interact. energy: -0.224
local terms energy: -45.282039
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -80.523647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.523647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.523647 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -24.407
Base-Backbone interact. energy: 0.635
local terms energy: -43.990201
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -208.184095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.184095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.184095 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.067
local terms energy: -73.601205
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.203
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: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -218.178307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.178307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.178307 (E_RNA)
where:
Base-Base interactions energy: -135.874
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.019
local terms energy: -82.284683
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -21.815
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -210.942107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942107 (E_RNA)
where:
Base-Base interactions energy: -134.389
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.163
local terms energy: -76.390046
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -204.475887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.475887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.475887 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.012
local terms energy: -77.206963
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -14.007
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: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -181.456080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.456080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.456080 (E_RNA)
where:
Base-Base interactions energy: -118.211
where: short stacking energy: -61.440
Base-Backbone interact. energy: -0.011
local terms energy: -63.233727
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -20.681
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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -137.769604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.769604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.769604 (E_RNA)
where:
Base-Base interactions energy: -75.683
where: short stacking energy: -44.422
Base-Backbone interact. energy: -0.342
local terms energy: -61.744857
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -183.113774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.113774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.113774 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.331
local terms energy: -61.143987
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -83.206309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.206309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.206309 (E_RNA)
where:
Base-Base interactions energy: -27.786
where: short stacking energy: -27.786
Base-Backbone interact. energy: -0.019
local terms energy: -55.401448
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -78.760160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.760160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.760160 (E_RNA)
where:
Base-Base interactions energy: -28.118
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.211
local terms energy: -50.431460
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -74.927316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.927316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.927316 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -24.417
Base-Backbone interact. energy: -0.012
local terms energy: -50.498394
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -6.667
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: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -215.637803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.637803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.637803 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.116
local terms energy: -73.802424
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -200.222482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222482 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.003
local terms energy: -67.615510
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -212.966714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.966714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.966714 (E_RNA)
where:
Base-Base interactions energy: -137.804
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.013
local terms energy: -75.149307
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -201.556234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.556234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.556234 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -53.255
Base-Backbone interact. energy: -1.166
local terms energy: -78.324766
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -174.525028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.525028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.525028 (E_RNA)
where:
Base-Base interactions energy: -107.766
where: short stacking energy: -51.928
Base-Backbone interact. energy: -0.044
local terms energy: -66.714933
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.180
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: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -139.282951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.282951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.282951 (E_RNA)
where:
Base-Base interactions energy: -76.063
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.033
local terms energy: -63.187602
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -175.599801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.599801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.599801 (E_RNA)
where:
Base-Base interactions energy: -115.377
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.427
local terms energy: -59.795382
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -76.875358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875358 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -21.803
Base-Backbone interact. energy: -0.268
local terms energy: -47.671107
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -84.417044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417044 (E_RNA)
where:
Base-Base interactions energy: -21.689
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.008
local terms energy: -62.720738
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -9.321
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.580528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.580528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.580528 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.148
local terms energy: -50.557856
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -213.019306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.019306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.019306 (E_RNA)
where:
Base-Base interactions energy: -135.665
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.012
local terms energy: -77.342155
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -207.264799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.264799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.264799 (E_RNA)
where:
Base-Base interactions energy: -130.193
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.321
local terms energy: -76.751597
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -21.036
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -195.901382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.901382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.901382 (E_RNA)
where:
Base-Base interactions energy: -120.837
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.000
local terms energy: -75.063912
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -210.001599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001599 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.251
local terms energy: -75.429925
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -22.841
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: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -164.861197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.861197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.861197 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.245
local terms energy: -60.765022
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -14.423
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: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -156.388035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.388035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.388035 (E_RNA)
where:
Base-Base interactions energy: -97.196
where: short stacking energy: -49.202
Base-Backbone interact. energy: 0.433
local terms energy: -59.624779
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.357
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: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -88.545681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545681 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.088
local terms energy: -53.799893
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -83.935694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.935694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.935694 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -19.656
Base-Backbone interact. energy: -0.256
local terms energy: -43.987982
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -79.025506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.025506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.025506 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -24.521
Base-Backbone interact. energy: -0.527
local terms energy: -42.813710
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: 1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -75.994007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.994007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.994007 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -29.074
Base-Backbone interact. energy: -0.015
local terms energy: -46.904706
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -209.159406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.159406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.159406 (E_RNA)
where:
Base-Base interactions energy: -134.036
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.102
local terms energy: -75.021722
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -215.890654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.890654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.890654 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -62.857
Base-Backbone interact. energy: 0.204
local terms energy: -79.442584
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -12.909
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -208.647491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.647491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.647491 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -62.347
Base-Backbone interact. energy: -0.242
local terms energy: -72.671383
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.497
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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -200.632679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.632679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.632679 (E_RNA)
where:
Base-Base interactions energy: -122.490
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.037
local terms energy: -78.104902
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.768
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: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -169.799276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.799276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.799276 (E_RNA)
where:
Base-Base interactions energy: -102.925
where: short stacking energy: -48.517
Base-Backbone interact. energy: 0.959
local terms energy: -67.833852
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.849
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: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -117.734738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.734738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.734738 (E_RNA)
where:
Base-Base interactions energy: -57.179
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.005
local terms energy: -60.551600
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -93.366635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366635 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -32.388
Base-Backbone interact. energy: 0.326
local terms energy: -48.512596
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -6.093
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -97.821754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.821754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.821754 (E_RNA)
where:
Base-Base interactions energy: -50.377
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.222
local terms energy: -47.222785
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -72.751257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.751257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.751257 (E_RNA)
where:
Base-Base interactions energy: -25.793
where: short stacking energy: -22.455
Base-Backbone interact. energy: 0.037
local terms energy: -46.994587
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.001450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.001450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.001450 (E_RNA)
where:
Base-Base interactions energy: -31.099
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.252
local terms energy: -51.649896
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -214.425788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.425788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.425788 (E_RNA)
where:
Base-Base interactions energy: -134.952
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.061
local terms energy: -79.412492
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -207.801990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.801990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.801990 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -62.814
Base-Backbone interact. energy: -1.372
local terms energy: -76.906095
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.849
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: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -204.711663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.711663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.711663 (E_RNA)
where:
Base-Base interactions energy: -137.090
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.086
local terms energy: -67.535934
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -7.176
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -176.326845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.326845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.326845 (E_RNA)
where:
Base-Base interactions energy: -108.036
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.002
local terms energy: -68.288241
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -171.946595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.946595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.946595 (E_RNA)
where:
Base-Base interactions energy: -112.685
where: short stacking energy: -53.611
Base-Backbone interact. energy: -0.029
local terms energy: -59.232465
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.144
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -135.685857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.685857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.685857 (E_RNA)
where:
Base-Base interactions energy: -67.971
where: short stacking energy: -26.951
Base-Backbone interact. energy: -0.196
local terms energy: -67.519110
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -97.450586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450586 (E_RNA)
where:
Base-Base interactions energy: -41.532
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.707
local terms energy: -55.211810
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -108.920172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.920172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.920172 (E_RNA)
where:
Base-Base interactions energy: -64.744
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.428
local terms energy: -43.747500
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -79.693041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.693041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.693041 (E_RNA)
where:
Base-Base interactions energy: -26.108
where: short stacking energy: -25.365
Base-Backbone interact. energy: 0.341
local terms energy: -53.925928
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -74.671326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.671326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.671326 (E_RNA)
where:
Base-Base interactions energy: -20.270
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.005
local terms energy: -54.395726
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -213.062092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.062092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.062092 (E_RNA)
where:
Base-Base interactions energy: -133.321
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.160
local terms energy: -79.580786
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -10.606
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: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -214.697419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.697419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.697419 (E_RNA)
where:
Base-Base interactions energy: -134.886
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.528
local terms energy: -79.283497
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -183.133182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.133182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.133182 (E_RNA)
where:
Base-Base interactions energy: -110.211
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.001
local terms energy: -72.920442
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -201.265275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.265275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.265275 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.311
local terms energy: -71.551590
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -189.459049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.459049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.459049 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.014
local terms energy: -73.395586
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -142.682285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.682285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.682285 (E_RNA)
where:
Base-Base interactions energy: -77.249
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.706
local terms energy: -64.726635
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -90.647965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.647965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.647965 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -32.519
Base-Backbone interact. energy: 1.207
local terms energy: -58.300090
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -6.133
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: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -84.390945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390945 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -27.552
Base-Backbone interact. energy: -0.056
local terms energy: -47.847570
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.237092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.237092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.237092 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.610
local terms energy: -51.509198
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -76.444366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.444366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.444366 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -25.220
Base-Backbone interact. energy: 0.475
local terms energy: -46.705489
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -2.456
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -211.892113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.892113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.892113 (E_RNA)
where:
Base-Base interactions energy: -134.734
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.443
local terms energy: -76.714577
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -214.807273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.807273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.807273 (E_RNA)
where:
Base-Base interactions energy: -146.204
where: short stacking energy: -62.233
Base-Backbone interact. energy: -0.028
local terms energy: -68.575154
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.230
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: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -191.755554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755554 (E_RNA)
where:
Base-Base interactions energy: -119.865
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.115
local terms energy: -71.775728
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -183.662676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.662676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.662676 (E_RNA)
where:
Base-Base interactions energy: -111.450
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.000
local terms energy: -72.212430
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -15.960
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: 205
Temperature: 1.100000
Total energy: -184.501762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.501762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.501762 (E_RNA)
where:
Base-Base interactions energy: -122.485
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.051
local terms energy: -61.965423
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -158.350949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.350949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.350949 (E_RNA)
where:
Base-Base interactions energy: -99.102
where: short stacking energy: -43.902
Base-Backbone interact. energy: -0.054
local terms energy: -59.195203
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -88.408619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408619 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.040
local terms energy: -49.401991
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -73.818753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.818753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.818753 (E_RNA)
where:
Base-Base interactions energy: -22.630
where: short stacking energy: -19.692
Base-Backbone interact. energy: 0.874
local terms energy: -52.062862
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: 1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -76.419719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.419719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.419719 (E_RNA)
where:
Base-Base interactions energy: -25.025
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.114
local terms energy: -51.281426
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.858547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858547 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.060
local terms energy: -42.604225
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -2.491
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: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -222.054407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.054407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.054407 (E_RNA)
where:
Base-Base interactions energy: -139.883
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.382
local terms energy: -81.790283
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -209.017553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.017553 (E_RNA)
where:
Base-Base interactions energy: -131.281
where: short stacking energy: -68.496
Base-Backbone interact. energy: -2.118
local terms energy: -75.618231
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -169.842710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.842710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.842710 (E_RNA)
where:
Base-Base interactions energy: -100.542
where: short stacking energy: -43.235
Base-Backbone interact. energy: -0.168
local terms energy: -69.132465
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -182.539538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.539538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.539538 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.031
local terms energy: -68.948841
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -17.096
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: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -189.147666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.147666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.147666 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.145
local terms energy: -67.275214
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -87.845063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845063 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -22.156
Base-Backbone interact. energy: -0.394
local terms energy: -54.176750
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -90.920500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.920500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.920500 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.134
local terms energy: -56.302444
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.094
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: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -86.837314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.837314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.837314 (E_RNA)
where:
Base-Base interactions energy: -47.555
where: short stacking energy: -19.816
Base-Backbone interact. energy: -0.461
local terms energy: -38.821371
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: 1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -85.157264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157264 (E_RNA)
where:
Base-Base interactions energy: -31.701
where: short stacking energy: -26.991
Base-Backbone interact. energy: -0.258
local terms energy: -53.197849
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -88.804428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804428 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -41.463
Base-Backbone interact. energy: -0.100
local terms energy: -47.024135
where:
bonds (distance) C4'-P energy: -5.677
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -220.200176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.200176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.200176 (E_RNA)
where:
Base-Base interactions energy: -138.180
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.276
local terms energy: -81.744271
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -218.903657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903657 (E_RNA)
where:
Base-Base interactions energy: -143.925
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.701
local terms energy: -74.277316
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -23.283
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: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -187.970228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.970228 (E_RNA)
where:
Base-Base interactions energy: -120.642
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.001
local terms energy: -67.328024
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -17.321
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -203.112818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.112818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.112818 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.185
local terms energy: -75.846398
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -17.831
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: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -178.586196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.586196 (E_RNA)
where:
Base-Base interactions energy: -110.224
where: short stacking energy: -51.977
Base-Backbone interact. energy: 0.896
local terms energy: -69.259102
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -89.399267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.399267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.399267 (E_RNA)
where:
Base-Base interactions energy: -31.279
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.163
local terms energy: -57.956485
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -111.056856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.056856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.056856 (E_RNA)
where:
Base-Base interactions energy: -54.087
where: short stacking energy: -33.814
Base-Backbone interact. energy: -0.177
local terms energy: -56.793091
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -83.094247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094247 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -24.404
Base-Backbone interact. energy: -0.405
local terms energy: -44.761523
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -76.977182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.977182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.977182 (E_RNA)
where:
Base-Base interactions energy: -20.604
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.143
local terms energy: -56.230015
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -71.876213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.876213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.876213 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -26.003
Base-Backbone interact. energy: -0.195
local terms energy: -40.183198
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: 2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -215.819615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.819615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.819615 (E_RNA)
where:
Base-Base interactions energy: -141.601
where: short stacking energy: -64.413
Base-Backbone interact. energy: 0.276
local terms energy: -74.494491
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -19.497
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: 208
Temperature: 0.950000
Total energy: -215.740183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.740183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.740183 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.010
local terms energy: -80.082183
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.505
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: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -210.109248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.109248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.109248 (E_RNA)
where:
Base-Base interactions energy: -132.845
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.050
local terms energy: -77.215129
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -179.294057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.294057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.294057 (E_RNA)
where:
Base-Base interactions energy: -113.336
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.191
local terms energy: -65.767008
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -173.361572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.361572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.361572 (E_RNA)
where:
Base-Base interactions energy: -113.281
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.005
local terms energy: -60.075598
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -13.640
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: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -82.940976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.940976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.940976 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.194
local terms energy: -47.626819
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -131.456454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.456454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.456454 (E_RNA)
where:
Base-Base interactions energy: -68.290
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.103
local terms energy: -63.063070
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.514
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: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -87.463208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.463208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.463208 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -24.561
Base-Backbone interact. energy: -0.455
local terms energy: -54.491022
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -79.886067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.886067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.886067 (E_RNA)
where:
Base-Base interactions energy: -24.832
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.010
local terms energy: -55.044244
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -5.008
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: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -78.228087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228087 (E_RNA)
where:
Base-Base interactions energy: -22.038
where: short stacking energy: -16.179
Base-Backbone interact. energy: -0.712
local terms energy: -55.477359
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -211.963679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.963679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.963679 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.400
local terms energy: -76.193325
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -221.454513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454513 (E_RNA)
where:
Base-Base interactions energy: -137.986
where: short stacking energy: -68.515
Base-Backbone interact. energy: -0.029
local terms energy: -83.439316
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -22.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -212.069171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069171 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.014
local terms energy: -73.735698
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -178.085773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.085773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.085773 (E_RNA)
where:
Base-Base interactions energy: -110.460
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.024
local terms energy: -67.601015
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -19.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -168.268980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.268980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.268980 (E_RNA)
where:
Base-Base interactions energy: -108.395
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.012
local terms energy: -59.862585
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -144.094872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.094872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.094872 (E_RNA)
where:
Base-Base interactions energy: -91.450
where: short stacking energy: -34.018
Base-Backbone interact. energy: -0.211
local terms energy: -52.434594
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -85.548655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.548655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.548655 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.050
local terms energy: -54.268080
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -93.903024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.903024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.903024 (E_RNA)
where:
Base-Base interactions energy: -49.864
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.133
local terms energy: -43.906760
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -6.351
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -83.648219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.648219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.648219 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -25.453
Base-Backbone interact. energy: -0.110
local terms energy: -47.204168
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -72.547527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.547527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.547527 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -17.531
Base-Backbone interact. energy: -0.090
local terms energy: -50.513439
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -215.390442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.390442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.390442 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.060
local terms energy: -80.352257
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -205.053106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.053106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.053106 (E_RNA)
where:
Base-Base interactions energy: -126.612
where: short stacking energy: -62.505
Base-Backbone interact. energy: 1.428
local terms energy: -79.869305
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -203.815079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.815079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.815079 (E_RNA)
where:
Base-Base interactions energy: -125.257
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.200
local terms energy: -78.357647
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.670
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: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -175.764019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.764019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.764019 (E_RNA)
where:
Base-Base interactions energy: -112.180
where: short stacking energy: -54.575
Base-Backbone interact. energy: 0.277
local terms energy: -63.860704
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -184.975787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.975787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.975787 (E_RNA)
where:
Base-Base interactions energy: -115.677
where: short stacking energy: -56.293
Base-Backbone interact. energy: -0.008
local terms energy: -69.290504
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -147.641420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.641420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.641420 (E_RNA)
where:
Base-Base interactions energy: -97.585
where: short stacking energy: -24.806
Base-Backbone interact. energy: -0.103
local terms energy: -49.953587
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -105.106516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.106516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.106516 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.268
local terms energy: -54.394662
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -86.800471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800471 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -33.017
Base-Backbone interact. energy: 1.019
local terms energy: -49.190632
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -7.833
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: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -67.621877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.621877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.621877 (E_RNA)
where:
Base-Base interactions energy: -28.277
where: short stacking energy: -28.020
Base-Backbone interact. energy: 1.029
local terms energy: -40.374239
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -70.442244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.442244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.442244 (E_RNA)
where:
Base-Base interactions energy: -25.180
where: short stacking energy: -25.180
Base-Backbone interact. energy: -0.189
local terms energy: -45.073290
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -219.455333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.455333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.455333 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.032
local terms energy: -76.961447
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -205.801772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.801772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.801772 (E_RNA)
where:
Base-Base interactions energy: -130.392
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.105
local terms energy: -75.304778
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -210.406362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.406362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406362 (E_RNA)
where:
Base-Base interactions energy: -131.355
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.031
local terms energy: -79.020393
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -199.789509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.789509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.789509 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.003
local terms energy: -77.537047
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -174.207567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.207567 (E_RNA)
where:
Base-Base interactions energy: -107.773
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.046
local terms energy: -66.388118
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -170.692082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.692082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.692082 (E_RNA)
where:
Base-Base interactions energy: -99.847
where: short stacking energy: -42.096
Base-Backbone interact. energy: -0.167
local terms energy: -70.677917
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -16.036
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: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -87.423645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423645 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.011
local terms energy: -50.447365
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -80.652891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652891 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.093
local terms energy: -47.409815
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -6.182
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -81.468205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.468205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.468205 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -27.258
Base-Backbone interact. energy: -0.750
local terms energy: -53.460344
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -76.855724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.855724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.855724 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -23.386
Base-Backbone interact. energy: -0.189
local terms energy: -52.891698
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -219.776394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.776394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.776394 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -65.096
Base-Backbone interact. energy: -0.001
local terms energy: -77.338083
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.904
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: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -208.305883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.305883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.305883 (E_RNA)
where:
Base-Base interactions energy: -133.139
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.177
local terms energy: -74.989469
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -209.136841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.136841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.136841 (E_RNA)
where:
Base-Base interactions energy: -134.491
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.299
local terms energy: -74.346810
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -17.174
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: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -189.052783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.052783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.052783 (E_RNA)
where:
Base-Base interactions energy: -118.440
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.010
local terms energy: -70.602118
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -166.758486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.758486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.758486 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.015
local terms energy: -62.013838
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -170.679729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.679729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.679729 (E_RNA)
where:
Base-Base interactions energy: -102.684
where: short stacking energy: -52.677
Base-Backbone interact. energy: 1.690
local terms energy: -69.685463
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -80.689230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689230 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.206
local terms energy: -46.766154
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -76.781049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.781049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.781049 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -17.667
Base-Backbone interact. energy: -0.275
local terms energy: -52.770490
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -74.626217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.626217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.626217 (E_RNA)
where:
Base-Base interactions energy: -23.427
where: short stacking energy: -17.995
Base-Backbone interact. energy: 0.904
local terms energy: -52.103709
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -70.819184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.819184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.819184 (E_RNA)
where:
Base-Base interactions energy: -21.624
where: short stacking energy: -19.214
Base-Backbone interact. energy: -0.235
local terms energy: -48.959737
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -0.327
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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -220.669235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.669235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.669235 (E_RNA)
where:
Base-Base interactions energy: -142.988
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.683
local terms energy: -76.997792
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -204.316477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.316477 (E_RNA)
where:
Base-Base interactions energy: -129.492
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.326
local terms energy: -74.498099
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -203.592869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.592869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.592869 (E_RNA)
where:
Base-Base interactions energy: -130.849
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.506
local terms energy: -72.238152
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -166.377465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.377465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.377465 (E_RNA)
where:
Base-Base interactions energy: -97.649
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.256
local terms energy: -68.472079
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -196.594068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.594068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.594068 (E_RNA)
where:
Base-Base interactions energy: -128.824
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.001
local terms energy: -67.768909
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -7.053
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: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -171.082746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.082746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.082746 (E_RNA)
where:
Base-Base interactions energy: -96.846
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.070
local terms energy: -74.166912
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -82.790769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.790769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.790769 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -27.660
Base-Backbone interact. energy: -0.105
local terms energy: -52.911354
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -79.850114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.850114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.850114 (E_RNA)
where:
Base-Base interactions energy: -32.808
where: short stacking energy: -31.908
Base-Backbone interact. energy: -1.224
local terms energy: -45.818183
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -1.124
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -83.967783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.967783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.967783 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -29.214
Base-Backbone interact. energy: 1.435
local terms energy: -50.296675
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.790484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.790484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.790484 (E_RNA)
where:
Base-Base interactions energy: -23.078
where: short stacking energy: -22.712
Base-Backbone interact. energy: -0.706
local terms energy: -51.005708
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -1.586
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: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -215.192051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192051 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.510
local terms energy: -77.917293
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -22.772
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: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -211.170142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.170142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.170142 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.105
local terms energy: -78.296252
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -212.088817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088817 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.140
local terms energy: -77.165730
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -174.767646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.767646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.767646 (E_RNA)
where:
Base-Base interactions energy: -111.609
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.089
local terms energy: -63.069613
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -11.995
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: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -176.412310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.412310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.412310 (E_RNA)
where:
Base-Base interactions energy: -109.803
where: short stacking energy: -52.911
Base-Backbone interact. energy: -0.123
local terms energy: -66.486233
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -13.017
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: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -165.804292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.804292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.804292 (E_RNA)
where:
Base-Base interactions energy: -98.001
where: short stacking energy: -44.842
Base-Backbone interact. energy: -0.064
local terms energy: -67.738861
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -94.507597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.507597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.507597 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -37.536
Base-Backbone interact. energy: -0.232
local terms energy: -56.739306
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -8.442
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -78.384390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.384390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.384390 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.159
local terms energy: -48.380903
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -79.474890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.474890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.474890 (E_RNA)
where:
Base-Base interactions energy: -33.744
where: short stacking energy: -28.199
Base-Backbone interact. energy: -0.248
local terms energy: -45.482810
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -8.477
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: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -87.570042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.570042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.570042 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.126
local terms energy: -45.370149
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -228.651856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.651856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.651856 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.143
local terms energy: -84.247596
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -212.889123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.889123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.889123 (E_RNA)
where:
Base-Base interactions energy: -137.069
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.119
local terms energy: -75.701179
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -202.769845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769845 (E_RNA)
where:
Base-Base interactions energy: -131.891
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.105
local terms energy: -70.774138
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.153
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: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -178.021506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.021506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.021506 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.158
local terms energy: -67.244094
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -11.757
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: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -163.162244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.162244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.162244 (E_RNA)
where:
Base-Base interactions energy: -101.912
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.080
local terms energy: -61.169644
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -171.186996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.186996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.186996 (E_RNA)
where:
Base-Base interactions energy: -103.814
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.017
local terms energy: -67.356171
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -82.131064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.131064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.131064 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.061
local terms energy: -54.225284
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -81.495212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.495212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.495212 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.560
local terms energy: -47.517703
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -3.914
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -79.255774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.255774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.255774 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -28.145
Base-Backbone interact. energy: 0.013
local terms energy: -50.089043
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.700
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: 10, replica: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -87.853861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853861 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.108
local terms energy: -54.090570
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -203.317424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.317424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.317424 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -53.833
Base-Backbone interact. energy: 2.152
local terms energy: -73.374499
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.997
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -219.131083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.131083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.131083 (E_RNA)
where:
Base-Base interactions energy: -135.965
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.005
local terms energy: -83.161243
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -177.187947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187947 (E_RNA)
where:
Base-Base interactions energy: -105.550
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.160
local terms energy: -71.478054
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -190.468124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.468124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.468124 (E_RNA)
where:
Base-Base interactions energy: -120.867
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.035
local terms energy: -69.566072
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -168.007957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.007957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.007957 (E_RNA)
where:
Base-Base interactions energy: -103.882
where: short stacking energy: -42.575
Base-Backbone interact. energy: -0.070
local terms energy: -64.056143
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -124.349017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.349017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.349017 (E_RNA)
where:
Base-Base interactions energy: -68.207
where: short stacking energy: -42.390
Base-Backbone interact. energy: -0.402
local terms energy: -55.739991
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -85.779447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779447 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -33.410
Base-Backbone interact. energy: -0.100
local terms energy: -51.818651
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -85.227698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227698 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -31.208
Base-Backbone interact. energy: 0.398
local terms energy: -54.418027
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -75.159495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.159495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.159495 (E_RNA)
where:
Base-Base interactions energy: -17.374
where: short stacking energy: -17.205
Base-Backbone interact. energy: -0.065
local terms energy: -57.720308
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -66.864682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.864682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.864682 (E_RNA)
where:
Base-Base interactions energy: -16.740
where: short stacking energy: -16.637
Base-Backbone interact. energy: -0.056
local terms energy: -50.068562
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -6.729
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: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -205.963697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.963697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.963697 (E_RNA)
where:
Base-Base interactions energy: -137.277
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.175
local terms energy: -68.511779
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.226
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: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -218.675626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675626 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.051
local terms energy: -74.620439
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -11.564
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -185.496670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.496670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496670 (E_RNA)
where:
Base-Base interactions energy: -114.255
where: short stacking energy: -51.515
Base-Backbone interact. energy: -0.095
local terms energy: -71.146939
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -13.346
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: 217
Temperature: 1.050000
Total energy: -200.482978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.482978 (E_RNA)
where:
Base-Base interactions energy: -126.168
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.180
local terms energy: -74.135501
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -14.863
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -161.220075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.220075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.220075 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.200
local terms energy: -63.494915
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -101.013539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.013539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.013539 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.004
local terms energy: -62.895580
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.145
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: 217
Temperature: 1.200000
Total energy: -89.684834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.684834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.684834 (E_RNA)
where:
Base-Base interactions energy: -39.774
where: short stacking energy: -21.118
Base-Backbone interact. energy: 0.064
local terms energy: -49.975308
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -84.051911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.051911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.051911 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.035
local terms energy: -46.199233
where:
bonds (distance) C4'-P energy: -6.979
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.636
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -93.839837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839837 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.192
local terms energy: -56.765050
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -69.389076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.389076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.389076 (E_RNA)
where:
Base-Base interactions energy: -19.961
where: short stacking energy: -19.961
Base-Backbone interact. energy: -0.635
local terms energy: -48.793806
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: 2.603
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: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -215.734517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.734517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.734517 (E_RNA)
where:
Base-Base interactions energy: -143.989
where: short stacking energy: -67.114
Base-Backbone interact. energy: 0.057
local terms energy: -71.802922
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -201.330372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.330372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330372 (E_RNA)
where:
Base-Base interactions energy: -138.051
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.135
local terms energy: -63.144733
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -190.022597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.022597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.022597 (E_RNA)
where:
Base-Base interactions energy: -115.417
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.007
local terms energy: -74.598704
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.262
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -185.727328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.727328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.727328 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -52.756
Base-Backbone interact. energy: -0.437
local terms energy: -67.310306
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.370
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -157.453121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.453121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.453121 (E_RNA)
where:
Base-Base interactions energy: -98.242
where: short stacking energy: -46.968
Base-Backbone interact. energy: -1.168
local terms energy: -58.042740
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -7.676
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -102.232940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.232940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.232940 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -35.087
Base-Backbone interact. energy: 0.057
local terms energy: -58.483339
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -7.347
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: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -88.384573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384573 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -19.658
Base-Backbone interact. energy: -0.066
local terms energy: -52.003629
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -88.296357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.296357 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -33.451
Base-Backbone interact. energy: -0.001
local terms energy: -54.844735
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -70.779270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.779270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.779270 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.035
local terms energy: -41.388101
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -76.501783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501783 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -31.296
Base-Backbone interact. energy: 0.307
local terms energy: -42.585799
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -222.065949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.065949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065949 (E_RNA)
where:
Base-Base interactions energy: -139.322
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.134
local terms energy: -82.609879
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -13.107
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: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -204.034081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.034081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.034081 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.373
local terms energy: -69.095310
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -190.637082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.637082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.637082 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.169
local terms energy: -67.125388
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -10.019
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: 219
Temperature: 1.050000
Total energy: -155.274812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.274812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.274812 (E_RNA)
where:
Base-Base interactions energy: -104.042
where: short stacking energy: -47.074
Base-Backbone interact. energy: -0.004
local terms energy: -51.228610
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -185.304201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.304201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.304201 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.002
local terms energy: -64.585192
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -102.637408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.637408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.637408 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.138
local terms energy: -52.008058
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -7.170
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -84.259657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.259657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.259657 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -26.966
Base-Backbone interact. energy: -0.071
local terms energy: -56.965386
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -74.180105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.180105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.180105 (E_RNA)
where:
Base-Base interactions energy: -20.271
where: short stacking energy: -20.271
Base-Backbone interact. energy: -0.015
local terms energy: -53.894682
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -79.635617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.635617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.635617 (E_RNA)
where:
Base-Base interactions energy: -29.746
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.091
local terms energy: -49.798369
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -82.323935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.323935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.323935 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.117
local terms energy: -54.010166
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -7.973
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -215.694140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.694140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.694140 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.044
local terms energy: -78.836228
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -18.728
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -209.208902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.208902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.208902 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -60.144
Base-Backbone interact. energy: 0.209
local terms energy: -71.502173
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -187.934530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.934530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.934530 (E_RNA)
where:
Base-Base interactions energy: -115.774
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.065
local terms energy: -72.094882
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -150.252839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.252839 (E_RNA)
where:
Base-Base interactions energy: -90.147
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.035
local terms energy: -60.070558
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -168.379118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.379118 (E_RNA)
where:
Base-Base interactions energy: -110.901
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.796
local terms energy: -56.681943
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -93.135767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.135767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.135767 (E_RNA)
where:
Base-Base interactions energy: -47.212
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.372
local terms energy: -45.551945
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: 3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -85.651987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.651987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.651987 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.095
local terms energy: -55.214512
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -69.777697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.777697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.777697 (E_RNA)
where:
Base-Base interactions energy: -21.264
where: short stacking energy: -18.682
Base-Backbone interact. energy: -0.833
local terms energy: -47.680643
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -75.509911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509911 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.044
local terms energy: -49.527478
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -7.886
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: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -70.633942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.633942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.633942 (E_RNA)
where:
Base-Base interactions energy: -21.842
where: short stacking energy: -21.842
Base-Backbone interact. energy: 0.155
local terms energy: -48.946890
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -214.923326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.923326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.923326 (E_RNA)
where:
Base-Base interactions energy: -139.811
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.021
local terms energy: -75.091043
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -17.322
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: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -220.405766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405766 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.300
local terms energy: -76.263821
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -192.662453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662453 (E_RNA)
where:
Base-Base interactions energy: -119.885
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.088
local terms energy: -72.688986
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -167.753821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.753821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.753821 (E_RNA)
where:
Base-Base interactions energy: -100.466
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.176
local terms energy: -67.111864
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.938
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: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -156.617515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.617515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.617515 (E_RNA)
where:
Base-Base interactions energy: -92.183
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.744
local terms energy: -63.690163
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -6.971
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: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -89.523004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.523004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.523004 (E_RNA)
where:
Base-Base interactions energy: -26.053
where: short stacking energy: -26.053
Base-Backbone interact. energy: -0.105
local terms energy: -63.364514
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -98.808377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.808377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.808377 (E_RNA)
where:
Base-Base interactions energy: -44.330
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.798
local terms energy: -53.680449
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -76.308668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.308668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.308668 (E_RNA)
where:
Base-Base interactions energy: -26.989
where: short stacking energy: -18.789
Base-Backbone interact. energy: -0.257
local terms energy: -49.062501
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -71.164546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.164546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.164546 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -21.878
Base-Backbone interact. energy: -0.136
local terms energy: -47.941119
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -83.190361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.190361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.190361 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.023
local terms energy: -55.105215
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -8.110
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: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -222.461720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.461720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.461720 (E_RNA)
where:
Base-Base interactions energy: -143.244
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.006
local terms energy: -79.212141
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -213.569935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.569935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.569935 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.001
local terms energy: -77.697882
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -191.794599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.794599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.794599 (E_RNA)
where:
Base-Base interactions energy: -114.152
where: short stacking energy: -54.535
Base-Backbone interact. energy: -0.052
local terms energy: -77.590236
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -172.337017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.337017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.337017 (E_RNA)
where:
Base-Base interactions energy: -104.594
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.809
local terms energy: -66.934188
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -10.743
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: 222
Temperature: 1.100000
Total energy: -144.535324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.535324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.535324 (E_RNA)
where:
Base-Base interactions energy: -86.683
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.240
local terms energy: -57.612246
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -93.293628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.293628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.293628 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: 0.321
local terms energy: -57.909780
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -96.553371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553371 (E_RNA)
where:
Base-Base interactions energy: -45.016
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.029
local terms energy: -51.508070
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -6.511
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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -78.817747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.817747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.817747 (E_RNA)
where:
Base-Base interactions energy: -29.086
where: short stacking energy: -29.086
Base-Backbone interact. energy: 0.216
local terms energy: -49.947013
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -76.061643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.061643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.061643 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.430
local terms energy: -43.430571
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -65.535736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.535736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.535736 (E_RNA)
where:
Base-Base interactions energy: -25.005
where: short stacking energy: -10.467
Base-Backbone interact. energy: -0.568
local terms energy: -39.962495
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: 6.217
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: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -215.680468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.680468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.680468 (E_RNA)
where:
Base-Base interactions energy: -135.850
where: short stacking energy: -68.782
Base-Backbone interact. energy: -0.010
local terms energy: -79.820715
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -218.839488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.839488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.839488 (E_RNA)
where:
Base-Base interactions energy: -138.245
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.562
local terms energy: -80.032599
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -186.300796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.300796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.300796 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.142
local terms energy: -71.100461
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -173.725918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.725918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.725918 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.674
local terms energy: -62.680394
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -141.332824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.332824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.332824 (E_RNA)
where:
Base-Base interactions energy: -77.655
where: short stacking energy: -44.621
Base-Backbone interact. energy: -0.060
local terms energy: -63.617468
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -97.988374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988374 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -39.782
Base-Backbone interact. energy: -0.104
local terms energy: -57.429887
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -9.071
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: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -81.691259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.691259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.691259 (E_RNA)
where:
Base-Base interactions energy: -26.549
where: short stacking energy: -25.126
Base-Backbone interact. energy: -0.225
local terms energy: -54.917176
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -79.755570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755570 (E_RNA)
where:
Base-Base interactions energy: -35.276
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.209
local terms energy: -44.270996
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -73.235759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.235759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.235759 (E_RNA)
where:
Base-Base interactions energy: -30.236
where: short stacking energy: -29.445
Base-Backbone interact. energy: 3.272
local terms energy: -46.271682
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -68.584814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.584814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.584814 (E_RNA)
where:
Base-Base interactions energy: -28.815
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.152
local terms energy: -39.618773
where:
bonds (distance) C4'-P energy: -5.018
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -216.030920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.030920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.030920 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.017
local terms energy: -79.253562
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -22.935
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: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -215.226007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.226007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.226007 (E_RNA)
where:
Base-Base interactions energy: -133.005
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.017
local terms energy: -82.204042
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -185.706265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.706265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.706265 (E_RNA)
where:
Base-Base interactions energy: -124.251
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.036
local terms energy: -61.419278
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -19.046
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: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -152.810205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.810205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.810205 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -50.436
Base-Backbone interact. energy: -0.186
local terms energy: -55.580850
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -10.187
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: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -150.973441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.973441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.973441 (E_RNA)
where:
Base-Base interactions energy: -86.223
where: short stacking energy: -43.029
Base-Backbone interact. energy: -0.140
local terms energy: -64.611142
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -90.518453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518453 (E_RNA)
where:
Base-Base interactions energy: -37.874
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.007
local terms energy: -52.638334
where:
bonds (distance) C4'-P energy: -5.267
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -94.580142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.580142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.580142 (E_RNA)
where:
Base-Base interactions energy: -49.463
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.389
local terms energy: -44.728702
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -84.246317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.246317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.246317 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -31.810
Base-Backbone interact. energy: 1.926
local terms energy: -54.362745
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -73.397429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.397429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.397429 (E_RNA)
where:
Base-Base interactions energy: -28.866
where: short stacking energy: -20.560
Base-Backbone interact. energy: -0.257
local terms energy: -44.274592
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: 4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.879076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.879076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.879076 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -28.989
Base-Backbone interact. energy: -0.083
local terms energy: -49.807964
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -212.373387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.373387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.373387 (E_RNA)
where:
Base-Base interactions energy: -136.656
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.251
local terms energy: -75.466277
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -209.422861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.422861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.422861 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.044
local terms energy: -72.619067
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -9.979
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -173.827927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.827927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.827927 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.006
local terms energy: -63.647209
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -166.451679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.451679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.451679 (E_RNA)
where:
Base-Base interactions energy: -103.667
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.129
local terms energy: -62.655217
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -167.268535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.268535 (E_RNA)
where:
Base-Base interactions energy: -100.014
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.102
local terms energy: -67.152773
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -12.311
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -96.026439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.026439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.026439 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.056
local terms energy: -56.198831
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -6.212
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: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -88.327679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327679 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.231
local terms energy: -52.965730
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -85.246584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246584 (E_RNA)
where:
Base-Base interactions energy: -28.227
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.079
local terms energy: -56.941449
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -82.060730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.060730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.060730 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -31.616
Base-Backbone interact. energy: 0.250
local terms energy: -50.694060
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -2.970
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: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -91.188674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188674 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.020
local terms energy: -51.690647
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -0.532
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: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -221.649084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.649084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.649084 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -71.227
Base-Backbone interact. energy: 0.735
local terms energy: -79.768472
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.633
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -212.672815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672815 (E_RNA)
where:
Base-Base interactions energy: -134.487
where: short stacking energy: -63.225
Base-Backbone interact. energy: -1.057
local terms energy: -77.129635
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.965
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: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -177.576902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576902 (E_RNA)
where:
Base-Base interactions energy: -102.908
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.119
local terms energy: -74.549169
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -172.563775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.563775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.563775 (E_RNA)
where:
Base-Base interactions energy: -111.554
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.045
local terms energy: -60.964896
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -173.723833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723833 (E_RNA)
where:
Base-Base interactions energy: -105.363
where: short stacking energy: -52.404
Base-Backbone interact. energy: -0.004
local terms energy: -68.356300
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -96.545695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.545695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.545695 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.089
local terms energy: -61.425030
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -108.897120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.897120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.897120 (E_RNA)
where:
Base-Base interactions energy: -45.429
where: short stacking energy: -45.429
Base-Backbone interact. energy: -0.006
local terms energy: -63.462051
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -84.000790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.000790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.000790 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.146
local terms energy: -50.996823
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -9.794
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: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -77.637669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637669 (E_RNA)
where:
Base-Base interactions energy: -27.129
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.343
local terms energy: -50.165890
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -71.047306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.047306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.047306 (E_RNA)
where:
Base-Base interactions energy: -25.228
where: short stacking energy: -25.228
Base-Backbone interact. energy: -0.035
local terms energy: -45.784439
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: 0.010
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -219.403741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.403741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.403741 (E_RNA)
where:
Base-Base interactions energy: -138.402
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.579
local terms energy: -80.422260
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -215.712566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.712566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.712566 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.020
local terms energy: -82.559858
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -21.422
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: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -179.300603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.300603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.300603 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.036
local terms energy: -68.844972
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -13.346
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: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -175.420437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.420437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.420437 (E_RNA)
where:
Base-Base interactions energy: -110.850
where: short stacking energy: -49.559
Base-Backbone interact. energy: -0.174
local terms energy: -64.396085
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -15.659
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: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -176.337927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.337927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.337927 (E_RNA)
where:
Base-Base interactions energy: -105.443
where: short stacking energy: -44.993
Base-Backbone interact. energy: -0.004
local terms energy: -70.890785
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -12.223
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: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -100.748280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.748280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.748280 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.045
local terms energy: -58.294953
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -90.739833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.739833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.739833 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.132
local terms energy: -62.560949
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -82.993910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993910 (E_RNA)
where:
Base-Base interactions energy: -34.239
where: short stacking energy: -34.109
Base-Backbone interact. energy: -0.153
local terms energy: -48.602074
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -78.667196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.667196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.667196 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.231
local terms energy: -47.601045
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -70.400008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.400008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.400008 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.088
local terms energy: -39.162912
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -220.163864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.163864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.163864 (E_RNA)
where:
Base-Base interactions energy: -141.757
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.076
local terms energy: -78.330646
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -12.264
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -221.775015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.775015 (E_RNA)
where:
Base-Base interactions energy: -143.932
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.146
local terms energy: -77.696434
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -184.851118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.851118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.851118 (E_RNA)
where:
Base-Base interactions energy: -119.140
where: short stacking energy: -52.822
Base-Backbone interact. energy: 2.042
local terms energy: -67.753342
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -7.857
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: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -172.032315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.032315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.032315 (E_RNA)
where:
Base-Base interactions energy: -103.800
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.067
local terms energy: -68.164905
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -12.340
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: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -178.603524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.603524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.603524 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -46.703
Base-Backbone interact. energy: -0.044
local terms energy: -67.512245
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -97.937416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.937416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.937416 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.116
local terms energy: -63.854532
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -87.147209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.147209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.147209 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -30.150
Base-Backbone interact. energy: 1.141
local terms energy: -54.017915
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -83.276898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276898 (E_RNA)
where:
Base-Base interactions energy: -29.065
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.221
local terms energy: -53.990361
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -76.899868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.899868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.899868 (E_RNA)
where:
Base-Base interactions energy: -24.029
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.171
local terms energy: -52.699594
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -4.669
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: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -71.824537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.824537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.824537 (E_RNA)
where:
Base-Base interactions energy: -25.016
where: short stacking energy: -25.016
Base-Backbone interact. energy: -0.056
local terms energy: -46.753019
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -1.522
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: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -214.312196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.312196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.312196 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.040
local terms energy: -74.791638
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -218.218995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.218995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.218995 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.015
local terms energy: -79.392450
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -11.910
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: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -172.094182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.094182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.094182 (E_RNA)
where:
Base-Base interactions energy: -106.786
where: short stacking energy: -48.749
Base-Backbone interact. energy: -0.111
local terms energy: -65.196913
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -172.945723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.945723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.945723 (E_RNA)
where:
Base-Base interactions energy: -104.645
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.024
local terms energy: -68.277120
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -163.085734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.085734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.085734 (E_RNA)
where:
Base-Base interactions energy: -100.944
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.030
local terms energy: -62.111333
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -10.114
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: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -104.390010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.390010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.390010 (E_RNA)
where:
Base-Base interactions energy: -54.624
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.131
local terms energy: -49.635577
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -80.188525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.188525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.188525 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -19.245
Base-Backbone interact. energy: -0.416
local terms energy: -54.224408
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -78.587814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587814 (E_RNA)
where:
Base-Base interactions energy: -20.444
where: short stacking energy: -19.924
Base-Backbone interact. energy: -0.576
local terms energy: -57.568459
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -77.057364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057364 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.386
local terms energy: -53.923538
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -75.806739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.806739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.806739 (E_RNA)
where:
Base-Base interactions energy: -27.132
where: short stacking energy: -24.626
Base-Backbone interact. energy: -0.362
local terms energy: -48.313661
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -4.227
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: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -222.566100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.566100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.566100 (E_RNA)
where:
Base-Base interactions energy: -137.453
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.437
local terms energy: -84.676538
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -23.726
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: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -214.622297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.622297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.622297 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -70.917
Base-Backbone interact. energy: -0.351
local terms energy: -78.913215
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -188.413666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.413666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.413666 (E_RNA)
where:
Base-Base interactions energy: -113.832
where: short stacking energy: -51.789
Base-Backbone interact. energy: -0.086
local terms energy: -74.495785
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -188.540521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.540521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.540521 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.069
local terms energy: -68.722692
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -162.670112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.670112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.670112 (E_RNA)
where:
Base-Base interactions energy: -92.425
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.042
local terms energy: -70.203203
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -89.405751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.405751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.405751 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -32.087
Base-Backbone interact. energy: 1.623
local terms energy: -53.417685
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -91.579260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579260 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -29.199
Base-Backbone interact. energy: -0.603
local terms energy: -54.114098
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -75.472885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.472885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.472885 (E_RNA)
where:
Base-Base interactions energy: -28.277
where: short stacking energy: -22.671
Base-Backbone interact. energy: -0.089
local terms energy: -47.107194
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -86.065175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.065175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.065175 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.127
local terms energy: -50.010353
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -74.055153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.055153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.055153 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.124
local terms energy: -51.997259
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -12.172
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: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -221.593055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.593055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.593055 (E_RNA)
where:
Base-Base interactions energy: -141.062
where: short stacking energy: -70.509
Base-Backbone interact. energy: -0.059
local terms energy: -80.471694
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -21.766
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: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -204.853846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.853846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.853846 (E_RNA)
where:
Base-Base interactions energy: -122.427
where: short stacking energy: -60.490
Base-Backbone interact. energy: -0.009
local terms energy: -82.417727
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -208.879766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.879766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.879766 (E_RNA)
where:
Base-Base interactions energy: -132.412
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.011
local terms energy: -76.456389
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -183.830734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.830734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.830734 (E_RNA)
where:
Base-Base interactions energy: -120.239
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.004
local terms energy: -63.588314
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -154.736200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.736200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.736200 (E_RNA)
where:
Base-Base interactions energy: -95.360
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.174
local terms energy: -59.202272
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -129.428304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.428304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.428304 (E_RNA)
where:
Base-Base interactions energy: -79.510
where: short stacking energy: -33.647
Base-Backbone interact. energy: 1.861
local terms energy: -51.779030
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -88.108328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.108328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.108328 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -32.223
Base-Backbone interact. energy: -0.437
local terms energy: -47.650961
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -88.930752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.930752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.930752 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.048
local terms energy: -59.403293
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -81.500803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500803 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.174
local terms energy: -44.656844
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -5.515
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -77.257818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.257818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.257818 (E_RNA)
where:
Base-Base interactions energy: -28.136
where: short stacking energy: -22.385
Base-Backbone interact. energy: -0.020
local terms energy: -49.102288
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -201.600701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.600701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.600701 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.074
local terms energy: -79.240349
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.204
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -217.859810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.859810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.859810 (E_RNA)
where:
Base-Base interactions energy: -139.758
where: short stacking energy: -67.232
Base-Backbone interact. energy: 5.181
local terms energy: -83.282533
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -22.568
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -205.496441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.496441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.496441 (E_RNA)
where:
Base-Base interactions energy: -130.460
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.051
local terms energy: -74.985503
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -185.094207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.094207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.094207 (E_RNA)
where:
Base-Base interactions energy: -119.251
where: short stacking energy: -52.365
Base-Backbone interact. energy: 0.008
local terms energy: -65.850673
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -157.002863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.002863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.002863 (E_RNA)
where:
Base-Base interactions energy: -97.640
where: short stacking energy: -40.585
Base-Backbone interact. energy: -0.204
local terms energy: -59.159241
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -12.000
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: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -126.065805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.065805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.065805 (E_RNA)
where:
Base-Base interactions energy: -67.313
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.657
local terms energy: -58.095435
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -4.932
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -88.139004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139004 (E_RNA)
where:
Base-Base interactions energy: -30.721
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.054
local terms energy: -57.363546
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -89.747739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.747739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.747739 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -30.751
Base-Backbone interact. energy: 0.563
local terms energy: -55.184723
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -8.125
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: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -74.646382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.646382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.646382 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -18.678
Base-Backbone interact. energy: 0.461
local terms energy: -41.310566
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: 0.026
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: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -76.277868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.277868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.277868 (E_RNA)
where:
Base-Base interactions energy: -25.249
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.123
local terms energy: -50.905998
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -1.132
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: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -198.974798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.974798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.974798 (E_RNA)
where:
Base-Base interactions energy: -118.279
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.005
local terms energy: -80.690930
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -213.427860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.427860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.427860 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.978
local terms energy: -72.663475
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -203.583471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.583471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.583471 (E_RNA)
where:
Base-Base interactions energy: -128.209
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.104
local terms energy: -75.269800
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -21.442
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: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -176.371102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.371102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.371102 (E_RNA)
where:
Base-Base interactions energy: -114.452
where: short stacking energy: -49.127
Base-Backbone interact. energy: -0.008
local terms energy: -61.911412
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -153.015246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.015246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.015246 (E_RNA)
where:
Base-Base interactions energy: -89.661
where: short stacking energy: -47.577
Base-Backbone interact. energy: -0.042
local terms energy: -63.312225
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -149.483664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.483664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.483664 (E_RNA)
where:
Base-Base interactions energy: -92.254
where: short stacking energy: -53.663
Base-Backbone interact. energy: -0.119
local terms energy: -57.110668
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -96.037175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.037175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.037175 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.033
local terms energy: -63.333673
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -79.833871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.833871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.833871 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.602
local terms energy: -46.186828
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -87.688346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.688346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.688346 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -33.711
Base-Backbone interact. energy: -0.029
local terms energy: -51.581118
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -5.869
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: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -80.890327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.890327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.890327 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.157
local terms energy: -48.923255
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -222.402181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.402181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.402181 (E_RNA)
where:
Base-Base interactions energy: -141.476
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.009
local terms energy: -80.917199
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -194.807849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.807849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.807849 (E_RNA)
where:
Base-Base interactions energy: -119.690
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.025
local terms energy: -75.092524
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.203
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -179.270029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.270029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.270029 (E_RNA)
where:
Base-Base interactions energy: -112.765
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.068
local terms energy: -66.437420
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -202.215610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.215610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.215610 (E_RNA)
where:
Base-Base interactions energy: -135.864
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.338
local terms energy: -66.013668
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -13.433
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: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -153.348075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.348075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.348075 (E_RNA)
where:
Base-Base interactions energy: -91.002
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.063
local terms energy: -62.283057
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -140.969532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.969532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.969532 (E_RNA)
where:
Base-Base interactions energy: -79.007
where: short stacking energy: -39.197
Base-Backbone interact. energy: -1.091
local terms energy: -60.871339
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.913
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -85.604685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.604685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.604685 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.097
local terms energy: -55.778992
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -82.350992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.350992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.350992 (E_RNA)
where:
Base-Base interactions energy: -27.362
where: short stacking energy: -25.801
Base-Backbone interact. energy: -0.017
local terms energy: -54.971573
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -5.431
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: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -73.353987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.353987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.353987 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -31.062
Base-Backbone interact. energy: -1.061
local terms energy: -41.230944
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -69.998018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.998018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.998018 (E_RNA)
where:
Base-Base interactions energy: -22.657
where: short stacking energy: -22.186
Base-Backbone interact. energy: 2.394
local terms energy: -49.735294
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -210.587821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.587821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.587821 (E_RNA)
where:
Base-Base interactions energy: -134.277
where: short stacking energy: -59.723
Base-Backbone interact. energy: -0.102
local terms energy: -76.208403
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -196.117061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.117061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.117061 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.680
local terms energy: -72.255008
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.382
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: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -180.681238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.681238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.681238 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.156
local terms energy: -67.433230
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -209.160037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.160037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.160037 (E_RNA)
where:
Base-Base interactions energy: -134.157
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.193
local terms energy: -74.810130
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -122.950593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.950593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.950593 (E_RNA)
where:
Base-Base interactions energy: -62.193
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.038
local terms energy: -60.720038
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -147.173172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.173172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.173172 (E_RNA)
where:
Base-Base interactions energy: -87.405
where: short stacking energy: -45.535
Base-Backbone interact. energy: -0.003
local terms energy: -59.764400
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -9.977
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: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -84.826501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.826501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.826501 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.217
local terms energy: -52.840149
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -70.925240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.925240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.925240 (E_RNA)
where:
Base-Base interactions energy: -18.642
where: short stacking energy: -18.642
Base-Backbone interact. energy: -0.217
local terms energy: -52.065792
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -74.545590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.545590 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -16.232
Base-Backbone interact. energy: -0.115
local terms energy: -47.300609
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -70.939080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.939080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.939080 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.138
local terms energy: -43.080566
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -4.989
flat angles P-C4'-P energy: -7.226
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -191.988350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.988350 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.109
local terms energy: -73.027924
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.061
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: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -212.925613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.925613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.925613 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.288
local terms energy: -77.093893
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -22.153
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -208.373787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373787 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.170
local terms energy: -74.324109
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -17.014
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: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -175.479831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.479831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.479831 (E_RNA)
where:
Base-Base interactions energy: -112.803
where: short stacking energy: -51.430
Base-Backbone interact. energy: -0.168
local terms energy: -62.509090
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -13.348
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: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -122.107233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.107233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.107233 (E_RNA)
where:
Base-Base interactions energy: -63.798
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.042
local terms energy: -58.266663
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -126.448667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.448667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.448667 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.356
local terms energy: -57.834036
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -6.435
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -99.566451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.566451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.566451 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.008
local terms energy: -57.553621
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -80.967974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.967974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.967974 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -24.930
Base-Backbone interact. energy: -0.638
local terms energy: -51.722643
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -78.973608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.973608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.973608 (E_RNA)
where:
Base-Base interactions energy: -20.991
where: short stacking energy: -20.991
Base-Backbone interact. energy: 0.631
local terms energy: -58.613560
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -74.303122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.303122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.303122 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -14.124
Base-Backbone interact. energy: -0.383
local terms energy: -40.260704
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -196.343498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.343498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.343498 (E_RNA)
where:
Base-Base interactions energy: -119.933
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.004
local terms energy: -76.406284
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -19.195
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -210.874919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.874919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.874919 (E_RNA)
where:
Base-Base interactions energy: -133.082
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.043
local terms energy: -77.750061
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -170.865472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.865472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.865472 (E_RNA)
where:
Base-Base interactions energy: -101.201
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.093
local terms energy: -69.571517
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -12.205
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: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -172.930729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.930729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.930729 (E_RNA)
where:
Base-Base interactions energy: -115.050
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.024
local terms energy: -57.856834
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -0.910
tors. eta vs tors. theta energy: -17.603
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: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -102.023589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.023589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.023589 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.198
local terms energy: -61.082979
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -102.917494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.917494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.917494 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -32.389
Base-Backbone interact. energy: -0.550
local terms energy: -55.195942
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -92.809608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809608 (E_RNA)
where:
Base-Base interactions energy: -33.969
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.078
local terms energy: -58.762788
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -94.831106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831106 (E_RNA)
where:
Base-Base interactions energy: -48.144
where: short stacking energy: -25.453
Base-Backbone interact. energy: -1.090
local terms energy: -45.597313
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: 3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -86.722085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722085 (E_RNA)
where:
Base-Base interactions energy: -30.403
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.188
local terms energy: -56.130794
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -72.739521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.739521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.739521 (E_RNA)
where:
Base-Base interactions energy: -23.730
where: short stacking energy: -23.730
Base-Backbone interact. energy: 0.484
local terms energy: -49.493180
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.796
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -221.038873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.038873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.038873 (E_RNA)
where:
Base-Base interactions energy: -145.156
where: short stacking energy: -67.458
Base-Backbone interact. energy: -0.012
local terms energy: -75.870831
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -22.781
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -182.092483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.092483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.092483 (E_RNA)
where:
Base-Base interactions energy: -112.389
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.003
local terms energy: -69.699892
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.271
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: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -193.068778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.068778 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.008
local terms energy: -69.989352
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -174.983000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.983000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.983000 (E_RNA)
where:
Base-Base interactions energy: -106.353
where: short stacking energy: -40.632
Base-Backbone interact. energy: 0.167
local terms energy: -68.796845
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -109.719907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.719907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.719907 (E_RNA)
where:
Base-Base interactions energy: -54.444
where: short stacking energy: -35.974
Base-Backbone interact. energy: 0.024
local terms energy: -55.299693
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -100.473931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.473931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.473931 (E_RNA)
where:
Base-Base interactions energy: -37.454
where: short stacking energy: -32.660
Base-Backbone interact. energy: 0.261
local terms energy: -63.280237
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -85.291948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.291948 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.061
local terms energy: -49.334015
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -81.592294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592294 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -28.572
Base-Backbone interact. energy: -0.180
local terms energy: -52.241383
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -74.352525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.352525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.352525 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.206
local terms energy: -46.506310
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -78.180158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180158 (E_RNA)
where:
Base-Base interactions energy: -35.540
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.261
local terms energy: -42.379619
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: 0.770
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -223.755291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.755291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.755291 (E_RNA)
where:
Base-Base interactions energy: -144.440
where: short stacking energy: -68.223
Base-Backbone interact. energy: -0.424
local terms energy: -78.890693
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -203.614436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.614436 (E_RNA)
where:
Base-Base interactions energy: -131.502
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.002
local terms energy: -72.110850
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -181.115627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115627 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -47.956
Base-Backbone interact. energy: -0.041
local terms energy: -72.086854
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -160.455928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.455928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.455928 (E_RNA)
where:
Base-Base interactions energy: -94.057
where: short stacking energy: -43.919
Base-Backbone interact. energy: -0.212
local terms energy: -66.186775
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -12.028
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -105.511628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.511628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.511628 (E_RNA)
where:
Base-Base interactions energy: -58.844
where: short stacking energy: -29.350
Base-Backbone interact. energy: -0.448
local terms energy: -46.219641
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -0.805
tors. eta vs tors. theta energy: -7.432
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -88.577165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.577165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.577165 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -38.045
Base-Backbone interact. energy: -0.091
local terms energy: -49.404080
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -5.746
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: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -86.329174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329174 (E_RNA)
where:
Base-Base interactions energy: -34.772
where: short stacking energy: -33.637
Base-Backbone interact. energy: 0.380
local terms energy: -51.936400
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -6.983
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: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -89.061133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.061133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.061133 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -33.726
Base-Backbone interact. energy: -0.109
local terms energy: -54.526349
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -6.173
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: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -88.791689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791689 (E_RNA)
where:
Base-Base interactions energy: -27.872
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.284
local terms energy: -60.635070
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -92.316286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.316286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.316286 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.597
local terms energy: -46.182419
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -221.454108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454108 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.214
local terms energy: -80.417408
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -10.224
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: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -202.570964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.570964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.570964 (E_RNA)
where:
Base-Base interactions energy: -128.341
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.028
local terms energy: -74.201945
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -192.499995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.499995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.499995 (E_RNA)
where:
Base-Base interactions energy: -117.459
where: short stacking energy: -51.080
Base-Backbone interact. energy: 0.303
local terms energy: -75.344426
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -17.938
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: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -162.402887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.402887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.402887 (E_RNA)
where:
Base-Base interactions energy: -95.939
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.456
local terms energy: -66.007435
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -10.169
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: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -125.939014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.939014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.939014 (E_RNA)
where:
Base-Base interactions energy: -74.860
where: short stacking energy: -43.395
Base-Backbone interact. energy: -1.084
local terms energy: -49.995718
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -102.695750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.695750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.695750 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.018
local terms energy: -62.831193
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -85.677937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677937 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -34.698
Base-Backbone interact. energy: -0.067
local terms energy: -50.591438
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -105.510648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.510648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.510648 (E_RNA)
where:
Base-Base interactions energy: -52.903
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.108
local terms energy: -52.500273
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -77.474058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.474058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.474058 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.503
local terms energy: -48.131601
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -84.068138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.068138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.068138 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.102
local terms energy: -55.626414
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -13.107
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: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -216.367373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.367373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.367373 (E_RNA)
where:
Base-Base interactions energy: -138.245
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.051
local terms energy: -78.071436
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -21.498
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: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -186.397828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.397828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.397828 (E_RNA)
where:
Base-Base interactions energy: -115.915
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.227
local terms energy: -70.256158
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -189.926733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.926733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.926733 (E_RNA)
where:
Base-Base interactions energy: -115.331
where: short stacking energy: -55.099
Base-Backbone interact. energy: -0.351
local terms energy: -74.244487
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -174.800189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.800189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.800189 (E_RNA)
where:
Base-Base interactions energy: -107.200
where: short stacking energy: -48.692
Base-Backbone interact. energy: -0.347
local terms energy: -67.252770
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.493
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -146.739400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.739400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.739400 (E_RNA)
where:
Base-Base interactions energy: -75.205
where: short stacking energy: -39.428
Base-Backbone interact. energy: -0.300
local terms energy: -71.234337
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -8.963
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: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -96.537080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.537080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.537080 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.150
local terms energy: -56.451958
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -9.587
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: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -107.367483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.367483 (E_RNA)
where:
Base-Base interactions energy: -44.863
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.080
local terms energy: -62.424360
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -103.618181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.618181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.618181 (E_RNA)
where:
Base-Base interactions energy: -49.339
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.179
local terms energy: -54.099603
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -8.847
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -76.851034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.851034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.851034 (E_RNA)
where:
Base-Base interactions energy: -36.286
where: short stacking energy: -20.486
Base-Backbone interact. energy: -0.389
local terms energy: -40.175651
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: 0.716
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: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -91.771116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.771116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.771116 (E_RNA)
where:
Base-Base interactions energy: -28.249
where: short stacking energy: -26.722
Base-Backbone interact. energy: 0.227
local terms energy: -63.749327
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -220.259760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.259760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.259760 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.573
local terms energy: -78.685667
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -13.716
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: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -175.319543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319543 (E_RNA)
where:
Base-Base interactions energy: -103.531
where: short stacking energy: -49.309
Base-Backbone interact. energy: 1.528
local terms energy: -73.316771
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -180.642350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.642350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.642350 (E_RNA)
where:
Base-Base interactions energy: -112.357
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.033
local terms energy: -68.252555
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -194.512082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.512082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.512082 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.501
local terms energy: -64.473203
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -175.028512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.028512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.028512 (E_RNA)
where:
Base-Base interactions energy: -104.726
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.268
local terms energy: -70.034137
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -104.625799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.625799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.625799 (E_RNA)
where:
Base-Base interactions energy: -53.369
where: short stacking energy: -27.858
Base-Backbone interact. energy: -0.291
local terms energy: -50.966312
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -98.851639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851639 (E_RNA)
where:
Base-Base interactions energy: -39.930
where: short stacking energy: -35.953
Base-Backbone interact. energy: 3.076
local terms energy: -61.997129
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -93.603169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.603169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.603169 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -39.191
Base-Backbone interact. energy: -0.065
local terms energy: -49.069470
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -7.113
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -79.429205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.429205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.429205 (E_RNA)
where:
Base-Base interactions energy: -30.831
where: short stacking energy: -18.122
Base-Backbone interact. energy: -0.194
local terms energy: -48.404863
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -74.983314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.983314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.983314 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -26.787
Base-Backbone interact. energy: 0.343
local terms energy: -48.538615
where:
bonds (distance) C4'-P energy: -6.432
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -219.406916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406916 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.012
local terms energy: -74.733498
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -190.862058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.862058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.862058 (E_RNA)
where:
Base-Base interactions energy: -119.555
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.004
local terms energy: -71.303642
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -178.981933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.981933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.981933 (E_RNA)
where:
Base-Base interactions energy: -108.248
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.126
local terms energy: -70.608620
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -5.794
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: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -205.128223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.128223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.128223 (E_RNA)
where:
Base-Base interactions energy: -127.476
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.152
local terms energy: -77.500413
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.765
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: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -164.475313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.475313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.475313 (E_RNA)
where:
Base-Base interactions energy: -104.260
where: short stacking energy: -47.263
Base-Backbone interact. energy: -0.067
local terms energy: -60.148552
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -11.381
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: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -88.110942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110942 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.025
local terms energy: -51.083445
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -95.808420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.808420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.808420 (E_RNA)
where:
Base-Base interactions energy: -49.217
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.256
local terms energy: -46.335573
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -0.021
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: 243
Temperature: 1.250000
Total energy: -86.570050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570050 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.166
local terms energy: -47.238581
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -77.971924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.971924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.971924 (E_RNA)
where:
Base-Base interactions energy: -26.778
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.441
local terms energy: -50.752778
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -76.707709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.707709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.707709 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -18.532
Base-Backbone interact. energy: -0.096
local terms energy: -47.964789
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -216.578766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.578766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.578766 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.036
local terms energy: -76.282017
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.161
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: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -192.870100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.870100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.870100 (E_RNA)
where:
Base-Base interactions energy: -121.135
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.214
local terms energy: -71.521630
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -5.972
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -202.957517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957517 (E_RNA)
where:
Base-Base interactions energy: -130.723
where: short stacking energy: -53.727
Base-Backbone interact. energy: -0.078
local terms energy: -72.156078
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -182.982421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.982421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.982421 (E_RNA)
where:
Base-Base interactions energy: -111.781
where: short stacking energy: -52.809
Base-Backbone interact. energy: 1.256
local terms energy: -72.457818
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.125
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: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -105.142388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.142388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.142388 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -46.601
Base-Backbone interact. energy: -0.027
local terms energy: -58.513903
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -10.360
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: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -145.269350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.269350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.269350 (E_RNA)
where:
Base-Base interactions energy: -83.801
where: short stacking energy: -40.780
Base-Backbone interact. energy: 1.425
local terms energy: -62.892893
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -122.661317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.661317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.661317 (E_RNA)
where:
Base-Base interactions energy: -79.955
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.682
local terms energy: -42.024047
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -93.450243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450243 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -37.236
Base-Backbone interact. energy: -0.273
local terms energy: -55.428627
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -9.080
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: 244
Temperature: 1.300000
Total energy: -83.967128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.967128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.967128 (E_RNA)
where:
Base-Base interactions energy: -34.386
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.144
local terms energy: -49.437319
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -1.182
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -74.110868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.110868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.110868 (E_RNA)
where:
Base-Base interactions energy: -29.465
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.747
local terms energy: -43.898439
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -218.486710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.486710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.486710 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.025
local terms energy: -83.175024
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -214.252884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.252884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.252884 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.060
local terms energy: -76.874168
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -189.398483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.398483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.398483 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.118
local terms energy: -76.974347
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -186.535500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.535500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.535500 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.533
local terms energy: -62.061119
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -13.012
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -112.048560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.048560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.048560 (E_RNA)
where:
Base-Base interactions energy: -51.421
where: short stacking energy: -51.421
Base-Backbone interact. energy: -0.002
local terms energy: -60.625067
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -171.487189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.487189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.487189 (E_RNA)
where:
Base-Base interactions energy: -103.883
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.020
local terms energy: -67.584153
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -102.073393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.073393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.073393 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -25.627
Base-Backbone interact. energy: -0.286
local terms energy: -44.082286
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -83.739637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739637 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.072
local terms energy: -51.222197
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -7.605
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: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -80.625239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.625239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.625239 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -16.401
Base-Backbone interact. energy: 1.579
local terms energy: -48.509960
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: 3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -75.233653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.233653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.233653 (E_RNA)
where:
Base-Base interactions energy: -23.186
where: short stacking energy: -23.186
Base-Backbone interact. energy: -0.068
local terms energy: -51.978753
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -215.261896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.261896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.261896 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -67.074
Base-Backbone interact. energy: 0.071
local terms energy: -73.717168
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -13.534
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: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -214.483635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.483635 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.018
local terms energy: -73.219150
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -8.712
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: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -186.972223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.972223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.972223 (E_RNA)
where:
Base-Base interactions energy: -119.083
where: short stacking energy: -54.111
Base-Backbone interact. energy: -0.039
local terms energy: -67.850127
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.520
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -185.194937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.194937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.194937 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -45.424
Base-Backbone interact. energy: -0.037
local terms energy: -59.812963
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.440
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -173.828729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.828729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.828729 (E_RNA)
where:
Base-Base interactions energy: -101.097
where: short stacking energy: -40.948
Base-Backbone interact. energy: -0.017
local terms energy: -72.714742
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.364
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: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -96.101947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101947 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.097
local terms energy: -61.219343
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -6.470
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: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -90.575411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575411 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.121
local terms energy: -58.240464
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -83.940898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940898 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -29.775
Base-Backbone interact. energy: -0.264
local terms energy: -50.171443
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -85.784950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784950 (E_RNA)
where:
Base-Base interactions energy: -36.872
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.064
local terms energy: -48.849348
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: 2.564
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -88.385030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.385030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.385030 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -30.309
Base-Backbone interact. energy: 1.266
local terms energy: -47.241252
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -226.824487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.824487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.824487 (E_RNA)
where:
Base-Base interactions energy: -148.236
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.508
local terms energy: -78.080105
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -212.526984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.526984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.526984 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.015
local terms energy: -78.164432
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -204.362656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.362656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.362656 (E_RNA)
where:
Base-Base interactions energy: -128.591
where: short stacking energy: -65.700
Base-Backbone interact. energy: -0.012
local terms energy: -75.760131
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -175.826527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826527 (E_RNA)
where:
Base-Base interactions energy: -109.920
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.160
local terms energy: -65.745874
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -169.730907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.730907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.730907 (E_RNA)
where:
Base-Base interactions energy: -97.165
where: short stacking energy: -53.518
Base-Backbone interact. energy: -0.163
local terms energy: -72.402943
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -16.534
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: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -104.405365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405365 (E_RNA)
where:
Base-Base interactions energy: -30.074
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.240
local terms energy: -74.091169
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -12.366
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -90.335947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335947 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -25.599
Base-Backbone interact. energy: -1.181
local terms energy: -51.688860
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -82.084909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.084909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.084909 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.190
local terms energy: -42.421272
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -70.412272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.412272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.412272 (E_RNA)
where:
Base-Base interactions energy: -25.915
where: short stacking energy: -23.827
Base-Backbone interact. energy: 1.166
local terms energy: -45.663339
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -1.513
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -91.486505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486505 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.714
local terms energy: -48.505614
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -217.501697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.501697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.501697 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.319
local terms energy: -78.944578
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -214.323871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323871 (E_RNA)
where:
Base-Base interactions energy: -137.278
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.113
local terms energy: -76.932845
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -11.993
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: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -189.575488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.575488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.575488 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -47.275
Base-Backbone interact. energy: 0.514
local terms energy: -68.470196
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -13.581
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: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -188.576954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.576954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.576954 (E_RNA)
where:
Base-Base interactions energy: -110.052
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.550
local terms energy: -77.974478
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -13.821
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: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -185.638266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.638266 (E_RNA)
where:
Base-Base interactions energy: -115.080
where: short stacking energy: -55.204
Base-Backbone interact. energy: -0.000
local terms energy: -70.558087
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -93.601698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.601698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.601698 (E_RNA)
where:
Base-Base interactions energy: -43.014
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.128
local terms energy: -50.459668
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -6.428
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: 248
Temperature: 1.200000
Total energy: -88.571958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.571958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.571958 (E_RNA)
where:
Base-Base interactions energy: -40.258
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.024
local terms energy: -48.289800
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -1.806
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -87.379571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.379571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.379571 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.132
local terms energy: -50.474930
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.549
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -74.416850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.416850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.416850 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -19.701
Base-Backbone interact. energy: -0.399
local terms energy: -46.016697
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -65.940358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.940358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.940358 (E_RNA)
where:
Base-Base interactions energy: -25.711
where: short stacking energy: -24.320
Base-Backbone interact. energy: 0.106
local terms energy: -40.334665
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -220.248729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.248729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.248729 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.181
local terms energy: -79.688378
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -182.966419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.966419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.966419 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.028
local terms energy: -62.954255
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -12.326
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: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -198.169414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.169414 (E_RNA)
where:
Base-Base interactions energy: -125.872
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.361
local terms energy: -71.935967
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -17.715
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: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -180.904870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.904870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.904870 (E_RNA)
where:
Base-Base interactions energy: -110.801
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.039
local terms energy: -70.064928
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -172.279693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.279693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.279693 (E_RNA)
where:
Base-Base interactions energy: -109.629
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.020
local terms energy: -62.630461
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -11.634
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: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -83.464893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.464893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.464893 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.488
local terms energy: -51.474807
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -86.980251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.980251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.980251 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.066
local terms energy: -55.982759
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.298
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: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -79.873567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.873567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.873567 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.112
local terms energy: -45.426150
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -82.003736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003736 (E_RNA)
where:
Base-Base interactions energy: -27.234
where: short stacking energy: -24.703
Base-Backbone interact. energy: -0.027
local terms energy: -54.742226
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -6.407
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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -76.105696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.105696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.105696 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -24.143
Base-Backbone interact. energy: 0.281
local terms energy: -45.741891
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -3.352
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: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -214.956333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956333 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.327
local terms energy: -75.093061
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -175.892309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.892309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.892309 (E_RNA)
where:
Base-Base interactions energy: -106.726
where: short stacking energy: -49.041
Base-Backbone interact. energy: -0.054
local terms energy: -69.111854
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -211.287687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.287687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.287687 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.364
local terms energy: -77.839211
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -192.133232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.133232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.133232 (E_RNA)
where:
Base-Base interactions energy: -116.677
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.000
local terms energy: -75.455799
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -154.305458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.305458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.305458 (E_RNA)
where:
Base-Base interactions energy: -86.286
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.180
local terms energy: -67.839539
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -8.497
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: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -94.988270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988270 (E_RNA)
where:
Base-Base interactions energy: -47.499
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.815
local terms energy: -46.673706
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -6.772
flat angles C4'-P-C4' energy: -7.390
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -93.465593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465593 (E_RNA)
where:
Base-Base interactions energy: -37.058
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.302
local terms energy: -56.105481
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -86.485969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.485969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.485969 (E_RNA)
where:
Base-Base interactions energy: -28.051
where: short stacking energy: -28.051
Base-Backbone interact. energy: -1.210
local terms energy: -57.225569
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -74.944279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.944279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.944279 (E_RNA)
where:
Base-Base interactions energy: -18.994
where: short stacking energy: -14.613
Base-Backbone interact. energy: -0.206
local terms energy: -55.743872
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -78.069148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.069148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.069148 (E_RNA)
where:
Base-Base interactions energy: -28.642
where: short stacking energy: -17.074
Base-Backbone interact. energy: -0.026
local terms energy: -49.400921
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -224.995461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995461 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.050
local terms energy: -81.433592
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.388
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: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -216.317408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317408 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.307
local terms energy: -77.808671
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -176.390685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.390685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.390685 (E_RNA)
where:
Base-Base interactions energy: -112.680
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.178
local terms energy: -63.533421
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -185.301249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.301249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.301249 (E_RNA)
where:
Base-Base interactions energy: -116.617
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.002
local terms energy: -68.682941
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -147.754118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.754118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.754118 (E_RNA)
where:
Base-Base interactions energy: -91.781
where: short stacking energy: -41.400
Base-Backbone interact. energy: -0.151
local terms energy: -55.822360
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -96.746085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.746085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.746085 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.908
local terms energy: -59.284203
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -100.608167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.608167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.608167 (E_RNA)
where:
Base-Base interactions energy: -42.924
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.011
local terms energy: -57.673602
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -80.096580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096580 (E_RNA)
where:
Base-Base interactions energy: -26.964
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.023
local terms energy: -53.109979
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -81.360296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.360296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.360296 (E_RNA)
where:
Base-Base interactions energy: -27.039
where: short stacking energy: -24.512
Base-Backbone interact. energy: -0.108
local terms energy: -54.212491
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -70.317871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.317871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.317871 (E_RNA)
where:
Base-Base interactions energy: -25.081
where: short stacking energy: -25.081
Base-Backbone interact. energy: -0.179
local terms energy: -45.058309
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -220.345771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.345771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.345771 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.029
local terms energy: -82.961344
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.005
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: 252
Temperature: 0.950000
Total energy: -207.494718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.494718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.494718 (E_RNA)
where:
Base-Base interactions energy: -131.485
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.012
local terms energy: -75.998106
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -180.902006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.902006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902006 (E_RNA)
where:
Base-Base interactions energy: -109.697
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.047
local terms energy: -71.157321
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -15.545
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: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -173.352492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.352492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.352492 (E_RNA)
where:
Base-Base interactions energy: -105.396
where: short stacking energy: -47.363
Base-Backbone interact. energy: -0.106
local terms energy: -67.849909
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -118.803518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.803518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.803518 (E_RNA)
where:
Base-Base interactions energy: -64.856
where: short stacking energy: -29.613
Base-Backbone interact. energy: -0.924
local terms energy: -53.024126
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -91.717545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.717545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.717545 (E_RNA)
where:
Base-Base interactions energy: -32.999
where: short stacking energy: -29.449
Base-Backbone interact. energy: 0.996
local terms energy: -59.714426
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -96.799506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.799506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.799506 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.295
local terms energy: -54.661543
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -81.624110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.624110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.624110 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.104
local terms energy: -51.184702
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -10.314
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: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -78.420696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.420696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.420696 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -36.168
Base-Backbone interact. energy: -0.153
local terms energy: -41.963678
where:
bonds (distance) C4'-P energy: -6.376
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -7.319
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -70.233693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.233693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.233693 (E_RNA)
where:
Base-Base interactions energy: -26.684
where: short stacking energy: -21.814
Base-Backbone interact. energy: -0.289
local terms energy: -43.259936
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: 0.073
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -217.813143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.813143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.813143 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -68.057
Base-Backbone interact. energy: -0.131
local terms energy: -79.014772
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -14.296
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -222.294648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294648 (E_RNA)
where:
Base-Base interactions energy: -144.883
where: short stacking energy: -68.151
Base-Backbone interact. energy: 0.355
local terms energy: -77.767059
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -190.734223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.734223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.734223 (E_RNA)
where:
Base-Base interactions energy: -116.692
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.145
local terms energy: -73.897936
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.085
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: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -172.909603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.909603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.909603 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -54.008
Base-Backbone interact. energy: -2.073
local terms energy: -65.254954
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -131.779299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.779299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.779299 (E_RNA)
where:
Base-Base interactions energy: -76.857
where: short stacking energy: -37.290
Base-Backbone interact. energy: -0.498
local terms energy: -54.424298
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -93.555114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.555114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.555114 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -37.968
Base-Backbone interact. energy: -0.117
local terms energy: -55.470341
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -80.807425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.807425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.807425 (E_RNA)
where:
Base-Base interactions energy: -33.767
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.013
local terms energy: -47.026817
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -91.998067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998067 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.010
local terms energy: -55.570985
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -79.499691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.499691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.499691 (E_RNA)
where:
Base-Base interactions energy: -26.440
where: short stacking energy: -26.440
Base-Backbone interact. energy: -0.767
local terms energy: -52.292151
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -75.079292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.079292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.079292 (E_RNA)
where:
Base-Base interactions energy: -28.771
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.248
local terms energy: -46.060435
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -219.541038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.541038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.541038 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -66.729
Base-Backbone interact. energy: -0.312
local terms energy: -80.886249
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -220.827534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.827534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.827534 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -68.657
Base-Backbone interact. energy: -0.259
local terms energy: -78.522594
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -13.031
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: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -190.872155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872155 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.010
local terms energy: -72.344491
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -9.960
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: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -172.921433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.921433 (E_RNA)
where:
Base-Base interactions energy: -100.656
where: short stacking energy: -47.252
Base-Backbone interact. energy: -0.001
local terms energy: -72.264736
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -111.392538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.392538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.392538 (E_RNA)
where:
Base-Base interactions energy: -49.809
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.186
local terms energy: -61.398320
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -8.587
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -90.084592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084592 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.108
local terms energy: -49.276529
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -84.725027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.725027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.725027 (E_RNA)
where:
Base-Base interactions energy: -27.215
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.041
local terms energy: -57.469335
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -81.817068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.817068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.817068 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.199
local terms energy: -55.126141
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -7.993
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: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -76.098126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.098126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.098126 (E_RNA)
where:
Base-Base interactions energy: -23.652
where: short stacking energy: -23.652
Base-Backbone interact. energy: 0.863
local terms energy: -53.308914
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -78.693574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.693574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.693574 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -28.249
Base-Backbone interact. energy: 0.464
local terms energy: -43.598629
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -1.461
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -221.593039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.593039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.593039 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.792
local terms energy: -78.148979
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -194.178946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.178946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.178946 (E_RNA)
where:
Base-Base interactions energy: -118.061
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.005
local terms energy: -76.113053
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -205.235773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.235773 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.131
local terms energy: -75.159160
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -170.662879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.662879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.662879 (E_RNA)
where:
Base-Base interactions energy: -100.054
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.003
local terms energy: -70.605853
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.647
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: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -120.019034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.019034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.019034 (E_RNA)
where:
Base-Base interactions energy: -63.264
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.017
local terms energy: -56.738351
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -109.506661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.506661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.506661 (E_RNA)
where:
Base-Base interactions energy: -51.300
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.452
local terms energy: -57.754214
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -82.451267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451267 (E_RNA)
where:
Base-Base interactions energy: -23.531
where: short stacking energy: -23.531
Base-Backbone interact. energy: 0.452
local terms energy: -59.372265
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -81.343497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343497 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.293
local terms energy: -45.956042
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -92.094604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.094604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.094604 (E_RNA)
where:
Base-Base interactions energy: -37.898
where: short stacking energy: -24.523
Base-Backbone interact. energy: -0.199
local terms energy: -53.997344
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -79.404348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404348 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.322
local terms energy: -51.683106
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -218.059640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.059640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.059640 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -66.023
Base-Backbone interact. energy: -0.469
local terms energy: -83.144415
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -22.766
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -199.187742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.187742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.187742 (E_RNA)
where:
Base-Base interactions energy: -123.002
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.086
local terms energy: -76.098866
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -6.233
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: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -216.615270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.615270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.615270 (E_RNA)
where:
Base-Base interactions energy: -138.909
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.004
local terms energy: -77.702371
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -167.439836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.439836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.439836 (E_RNA)
where:
Base-Base interactions energy: -104.267
where: short stacking energy: -41.568
Base-Backbone interact. energy: -0.141
local terms energy: -63.031316
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -106.396535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.396535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.396535 (E_RNA)
where:
Base-Base interactions energy: -44.971
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.027
local terms energy: -61.399147
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -88.500413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.500413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.500413 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -34.736
Base-Backbone interact. energy: -0.102
local terms energy: -51.464705
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -109.991519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.991519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.991519 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.403
local terms energy: -64.891983
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -85.808081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808081 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.005
local terms energy: -51.544479
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -7.965
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: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.821683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.821683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.821683 (E_RNA)
where:
Base-Base interactions energy: -28.252
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.158
local terms energy: -55.411553
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -3.051
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -74.711664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.711664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.711664 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -18.250
Base-Backbone interact. energy: -0.259
local terms energy: -41.688261
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -223.209204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.209204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.209204 (E_RNA)
where:
Base-Base interactions energy: -143.808
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.030
local terms energy: -79.371332
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -23.175
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: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -218.853650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.853650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.853650 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.005
local terms energy: -77.515365
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -195.299215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.299215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.299215 (E_RNA)
where:
Base-Base interactions energy: -118.997
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.038
local terms energy: -76.263996
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.972
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: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -179.314092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.314092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.314092 (E_RNA)
where:
Base-Base interactions energy: -109.433
where: short stacking energy: -40.627
Base-Backbone interact. energy: -0.003
local terms energy: -69.877290
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -103.328383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.328383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.328383 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.273
local terms energy: -64.369961
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -5.013
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -88.051479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.051479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.051479 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.141
local terms energy: -55.164554
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -94.058246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058246 (E_RNA)
where:
Base-Base interactions energy: -46.873
where: short stacking energy: -20.661
Base-Backbone interact. energy: -0.212
local terms energy: -46.973109
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -1.264
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: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -71.743130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.743130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.743130 (E_RNA)
where:
Base-Base interactions energy: -28.524
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.487
local terms energy: -42.731338
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 4.823
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -82.413681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.413681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.413681 (E_RNA)
where:
Base-Base interactions energy: -30.292
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.032
local terms energy: -52.089498
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -72.250301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.250301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.250301 (E_RNA)
where:
Base-Base interactions energy: -22.626
where: short stacking energy: -19.505
Base-Backbone interact. energy: -0.299
local terms energy: -49.324631
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -224.352286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.352286 (E_RNA)
where:
Base-Base interactions energy: -139.968
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.346
local terms energy: -84.038820
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -219.974579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974579 (E_RNA)
where:
Base-Base interactions energy: -135.613
where: short stacking energy: -64.933
Base-Backbone interact. energy: 0.978
local terms energy: -85.339083
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -23.702
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: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -189.382673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.382673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.382673 (E_RNA)
where:
Base-Base interactions energy: -117.431
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.062
local terms energy: -71.890032
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -176.913774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.913774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.913774 (E_RNA)
where:
Base-Base interactions energy: -103.808
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.102
local terms energy: -73.004336
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -105.017546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017546 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -22.515
Base-Backbone interact. energy: -0.092
local terms energy: -59.236324
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -5.711
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -106.438572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.438572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.438572 (E_RNA)
where:
Base-Base interactions energy: -50.731
where: short stacking energy: -32.836
Base-Backbone interact. energy: -0.378
local terms energy: -55.329018
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -5.204
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: 258
Temperature: 1.200000
Total energy: -103.039913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.039913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.039913 (E_RNA)
where:
Base-Base interactions energy: -52.840
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.103
local terms energy: -50.096683
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -9.602
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: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -77.687847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687847 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.108
local terms energy: -42.709238
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -90.883488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.883488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.883488 (E_RNA)
where:
Base-Base interactions energy: -43.726
where: short stacking energy: -29.153
Base-Backbone interact. energy: -0.349
local terms energy: -46.809326
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -5.792
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: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -68.358030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.358030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.358030 (E_RNA)
where:
Base-Base interactions energy: -25.994
where: short stacking energy: -25.994
Base-Backbone interact. energy: -0.188
local terms energy: -42.175326
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: 2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -218.420342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.420342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.420342 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -69.430
Base-Backbone interact. energy: 0.133
local terms energy: -72.620036
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -215.471613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.471613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.471613 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -66.590
Base-Backbone interact. energy: -0.228
local terms energy: -75.052809
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -20.320
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: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -198.046435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.046435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.046435 (E_RNA)
where:
Base-Base interactions energy: -119.665
where: short stacking energy: -60.528
Base-Backbone interact. energy: -0.012
local terms energy: -78.369083
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -180.036778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.036778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.036778 (E_RNA)
where:
Base-Base interactions energy: -108.533
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.348
local terms energy: -71.156471
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -9.266
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: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -105.599658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.599658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.599658 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -22.486
Base-Backbone interact. energy: -0.452
local terms energy: -59.148762
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -104.384401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.384401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.384401 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -30.499
Base-Backbone interact. energy: -1.462
local terms energy: -49.117796
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -110.228820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.228820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.228820 (E_RNA)
where:
Base-Base interactions energy: -52.109
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.116
local terms energy: -58.003425
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -9.453
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: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -74.782334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.782334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.782334 (E_RNA)
where:
Base-Base interactions energy: -22.647
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.207
local terms energy: -51.928406
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.957087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.957087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.957087 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.064
local terms energy: -57.647728
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -83.071853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.071853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.071853 (E_RNA)
where:
Base-Base interactions energy: -27.022
where: short stacking energy: -27.022
Base-Backbone interact. energy: -0.792
local terms energy: -55.258159
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -221.589819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589819 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -58.472
Base-Backbone interact. energy: 0.066
local terms energy: -79.355377
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -206.235013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235013 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -66.960
Base-Backbone interact. energy: 0.114
local terms energy: -72.058816
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -187.499905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.499905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.499905 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.359
local terms energy: -76.155930
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.247
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: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -165.183684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.183684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.183684 (E_RNA)
where:
Base-Base interactions energy: -95.543
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.015
local terms energy: -69.625533
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -14.355
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: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -118.974991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.974991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.974991 (E_RNA)
where:
Base-Base interactions energy: -52.670
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.002
local terms energy: -66.302895
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -97.320073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.320073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.320073 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.008
local terms energy: -57.203799
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -84.891664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.891664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.891664 (E_RNA)
where:
Base-Base interactions energy: -36.550
where: short stacking energy: -36.550
Base-Backbone interact. energy: -0.151
local terms energy: -48.191400
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -87.962510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.962510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.962510 (E_RNA)
where:
Base-Base interactions energy: -48.772
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.061
local terms energy: -39.129168
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -74.886088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.886088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.886088 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.008
local terms energy: -39.353305
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -8.454
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -77.161145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.161145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.161145 (E_RNA)
where:
Base-Base interactions energy: -27.697
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.262
local terms energy: -49.202279
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -218.666104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.666104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.666104 (E_RNA)
where:
Base-Base interactions energy: -134.667
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.056
local terms energy: -83.942968
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -22.151
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: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -214.178056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.178056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.178056 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.067
local terms energy: -75.241208
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -186.133101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.133101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.133101 (E_RNA)
where:
Base-Base interactions energy: -120.425
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.022
local terms energy: -65.686214
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -179.247983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.247983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.247983 (E_RNA)
where:
Base-Base interactions energy: -115.037
where: short stacking energy: -48.662
Base-Backbone interact. energy: -0.145
local terms energy: -64.065701
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -111.399757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399757 (E_RNA)
where:
Base-Base interactions energy: -51.335
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.076
local terms energy: -59.988507
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -80.864760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.864760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.864760 (E_RNA)
where:
Base-Base interactions energy: -24.448
where: short stacking energy: -24.448
Base-Backbone interact. energy: 0.006
local terms energy: -56.422588
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -90.210201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210201 (E_RNA)
where:
Base-Base interactions energy: -33.784
where: short stacking energy: -33.784
Base-Backbone interact. energy: -0.164
local terms energy: -56.262007
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -89.461929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.461929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.461929 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -22.946
Base-Backbone interact. energy: -0.007
local terms energy: -52.814189
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -10.005
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: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.128251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.128251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.128251 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -23.968
Base-Backbone interact. energy: -0.111
local terms energy: -44.798754
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -101.671040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.671040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.671040 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.086
local terms energy: -64.239810
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -218.398817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398817 (E_RNA)
where:
Base-Base interactions energy: -134.781
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.148
local terms energy: -83.469920
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.282218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.282218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.282218 (E_RNA)
where:
Base-Base interactions energy: -134.488
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.008
local terms energy: -82.785887
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -23.829
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: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -195.975216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.975216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.975216 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -63.024
Base-Backbone interact. energy: 0.018
local terms energy: -72.144976
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -16.309
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: 262
Temperature: 1.050000
Total energy: -179.818741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.818741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.818741 (E_RNA)
where:
Base-Base interactions energy: -100.242
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.286
local terms energy: -79.290258
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -99.395565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.395565 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -35.213
Base-Backbone interact. energy: -0.074
local terms energy: -64.108501
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -96.226852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226852 (E_RNA)
where:
Base-Base interactions energy: -47.875
where: short stacking energy: -39.748
Base-Backbone interact. energy: 1.181
local terms energy: -49.533102
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -5.847
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: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -92.084606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.084606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.084606 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.097
local terms energy: -52.660183
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -78.310062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.310062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.310062 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.190
local terms energy: -45.824433
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -78.423642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423642 (E_RNA)
where:
Base-Base interactions energy: -34.061
where: short stacking energy: -14.504
Base-Backbone interact. energy: -0.307
local terms energy: -44.055244
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -7.351
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: 1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -75.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636731 (E_RNA)
where:
Base-Base interactions energy: -29.684
where: short stacking energy: -29.984
Base-Backbone interact. energy: 0.245
local terms energy: -46.198046
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -220.555095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.555095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.555095 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.470
local terms energy: -78.314047
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -23.142
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: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -218.117006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.117006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.117006 (E_RNA)
where:
Base-Base interactions energy: -141.145
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.501
local terms energy: -76.471354
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -22.311
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: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -183.957554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.957554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.957554 (E_RNA)
where:
Base-Base interactions energy: -113.068
where: short stacking energy: -51.966
Base-Backbone interact. energy: 0.283
local terms energy: -71.172536
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -10.830
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: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -157.666684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.666684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.666684 (E_RNA)
where:
Base-Base interactions energy: -103.042
where: short stacking energy: -53.284
Base-Backbone interact. energy: -0.216
local terms energy: -54.408738
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -98.164848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164848 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -34.083
Base-Backbone interact. energy: 0.799
local terms energy: -64.881567
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -11.852
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -106.215525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.215525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.215525 (E_RNA)
where:
Base-Base interactions energy: -51.222
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.770
local terms energy: -54.222879
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -98.308083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.308083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.308083 (E_RNA)
where:
Base-Base interactions energy: -41.423
where: short stacking energy: -40.559
Base-Backbone interact. energy: -0.364
local terms energy: -56.520763
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -10.493
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: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -83.813550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813550 (E_RNA)
where:
Base-Base interactions energy: -32.434
where: short stacking energy: -22.778
Base-Backbone interact. energy: -0.112
local terms energy: -51.267261
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -7.050
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -84.362882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362882 (E_RNA)
where:
Base-Base interactions energy: -22.609
where: short stacking energy: -20.552
Base-Backbone interact. energy: -1.388
local terms energy: -60.365991
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -73.048475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.048475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.048475 (E_RNA)
where:
Base-Base interactions energy: -26.484
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.023
local terms energy: -46.541396
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -221.595613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.595613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.595613 (E_RNA)
where:
Base-Base interactions energy: -141.877
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.302
local terms energy: -79.416682
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -23.426
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: 264
Temperature: 0.950000
Total energy: -198.238015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.238015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.238015 (E_RNA)
where:
Base-Base interactions energy: -127.477
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.815
local terms energy: -69.945320
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -10.124
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: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -190.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.746578 (E_RNA)
where:
Base-Base interactions energy: -117.247
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.033
local terms energy: -73.466493
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -159.609498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.609498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.609498 (E_RNA)
where:
Base-Base interactions energy: -93.748
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.123
local terms energy: -65.738400
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -100.702509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.702509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.702509 (E_RNA)
where:
Base-Base interactions energy: -42.047
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.134
local terms energy: -58.521225
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -96.771171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.771171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.771171 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.010
local terms energy: -55.753320
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -77.986784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.986784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.986784 (E_RNA)
where:
Base-Base interactions energy: -24.886
where: short stacking energy: -24.886
Base-Backbone interact. energy: 0.021
local terms energy: -53.122058
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.308
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: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -80.467884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.467884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.467884 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.031
local terms energy: -45.808759
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -79.028136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.028136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.028136 (E_RNA)
where:
Base-Base interactions energy: -31.679
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.478
local terms energy: -46.871027
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -81.928895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.928895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.928895 (E_RNA)
where:
Base-Base interactions energy: -27.573
where: short stacking energy: -23.840
Base-Backbone interact. energy: -0.098
local terms energy: -54.258337
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -215.879066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.879066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.879066 (E_RNA)
where:
Base-Base interactions energy: -137.885
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.008
local terms energy: -77.985272
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -212.466604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.466604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.466604 (E_RNA)
where:
Base-Base interactions energy: -138.521
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.008
local terms energy: -73.937899
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -190.447985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.447985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.447985 (E_RNA)
where:
Base-Base interactions energy: -115.819
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.028
local terms energy: -74.600895
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.872
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: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -161.334306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.334306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334306 (E_RNA)
where:
Base-Base interactions energy: -98.882
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.083
local terms energy: -62.369331
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -11.176
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: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -99.088400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.088400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.088400 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.164
local terms energy: -59.970433
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -88.283666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.283666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.283666 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -32.797
Base-Backbone interact. energy: 0.451
local terms energy: -52.303044
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -88.800022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.800022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.800022 (E_RNA)
where:
Base-Base interactions energy: -39.201
where: short stacking energy: -24.788
Base-Backbone interact. energy: 0.754
local terms energy: -50.353706
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -77.371741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.371741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.371741 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -16.663
Base-Backbone interact. energy: -0.468
local terms energy: -41.632509
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -3.879
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: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -90.544785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544785 (E_RNA)
where:
Base-Base interactions energy: -42.680
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.203
local terms energy: -47.661781
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -76.458747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.458747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.458747 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.201
local terms energy: -44.096403
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -223.045779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.045779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.045779 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.135
local terms energy: -80.569604
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -11.224
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -218.133640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.133640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.133640 (E_RNA)
where:
Base-Base interactions energy: -139.905
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.207
local terms energy: -78.021881
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -173.196670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196670 (E_RNA)
where:
Base-Base interactions energy: -96.769
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.033
local terms energy: -76.394427
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -18.082
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -183.574837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.574837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574837 (E_RNA)
where:
Base-Base interactions energy: -114.920
where: short stacking energy: -57.766
Base-Backbone interact. energy: -0.020
local terms energy: -68.635577
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -94.237389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237389 (E_RNA)
where:
Base-Base interactions energy: -32.715
where: short stacking energy: -32.303
Base-Backbone interact. energy: -0.172
local terms energy: -61.350418
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -5.080
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -98.182806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182806 (E_RNA)
where:
Base-Base interactions energy: -43.437
where: short stacking energy: -43.437
Base-Backbone interact. energy: -0.185
local terms energy: -54.560396
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -86.927168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.927168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.927168 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.152
local terms energy: -43.951360
where:
bonds (distance) C4'-P energy: -5.923
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -5.774
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: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -81.736100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736100 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -27.089
Base-Backbone interact. energy: 0.054
local terms energy: -54.901057
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: 0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -69.943504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.943504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.943504 (E_RNA)
where:
Base-Base interactions energy: -23.129
where: short stacking energy: -23.129
Base-Backbone interact. energy: 0.627
local terms energy: -47.441196
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -1.025
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: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -76.039673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.039673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.039673 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -11.329
Base-Backbone interact. energy: -0.044
local terms energy: -43.286595
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -212.659680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.659680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.659680 (E_RNA)
where:
Base-Base interactions energy: -136.424
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.038
local terms energy: -76.197615
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -209.345859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.345859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.345859 (E_RNA)
where:
Base-Base interactions energy: -133.011
where: short stacking energy: -64.503
Base-Backbone interact. energy: -0.014
local terms energy: -76.320437
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -179.492192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.492192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.492192 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.181
local terms energy: -61.364899
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -13.543
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: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -183.479688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.479688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.479688 (E_RNA)
where:
Base-Base interactions energy: -114.080
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.002
local terms energy: -69.397723
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -101.117281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.117281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.117281 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -39.090
Base-Backbone interact. energy: -0.190
local terms energy: -60.171929
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -91.509924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.509924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.509924 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.004
local terms energy: -56.863500
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -94.698139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.698139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.698139 (E_RNA)
where:
Base-Base interactions energy: -37.361
where: short stacking energy: -35.839
Base-Backbone interact. energy: -0.429
local terms energy: -56.908108
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -77.432758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432758 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -22.549
Base-Backbone interact. energy: -0.709
local terms energy: -51.146301
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -72.998931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.998931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.998931 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -21.281
Base-Backbone interact. energy: 0.311
local terms energy: -45.688152
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -70.146633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.146633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.146633 (E_RNA)
where:
Base-Base interactions energy: -21.207
where: short stacking energy: -21.006
Base-Backbone interact. energy: -0.245
local terms energy: -48.694552
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -217.684329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684329 (E_RNA)
where:
Base-Base interactions energy: -135.026
where: short stacking energy: -68.333
Base-Backbone interact. energy: 0.253
local terms energy: -82.911151
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -12.057
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -208.938772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938772 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.136
local terms energy: -76.416405
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -186.772329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.772329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.772329 (E_RNA)
where:
Base-Base interactions energy: -116.522
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.064
local terms energy: -70.186424
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -161.984731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.984731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.984731 (E_RNA)
where:
Base-Base interactions energy: -95.568
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.004
local terms energy: -66.413129
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.140
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: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -108.773861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.773861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.773861 (E_RNA)
where:
Base-Base interactions energy: -52.963
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.190
local terms energy: -55.620712
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -95.932844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932844 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.035
local terms energy: -57.344590
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -84.909707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.909707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.909707 (E_RNA)
where:
Base-Base interactions energy: -34.461
where: short stacking energy: -18.816
Base-Backbone interact. energy: -0.378
local terms energy: -50.071083
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -78.665959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.665959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.665959 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -32.577
Base-Backbone interact. energy: 1.066
local terms energy: -47.154649
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -80.681857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.681857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.681857 (E_RNA)
where:
Base-Base interactions energy: -30.147
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.054
local terms energy: -50.481080
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -73.473853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.473853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.473853 (E_RNA)
where:
Base-Base interactions energy: -21.732
where: short stacking energy: -21.732
Base-Backbone interact. energy: 0.200
local terms energy: -51.941951
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -218.381566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.381566 (E_RNA)
where:
Base-Base interactions energy: -144.671
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.570
local terms energy: -73.140480
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -210.991835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.991835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.991835 (E_RNA)
where:
Base-Base interactions energy: -128.183
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.010
local terms energy: -82.798789
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.681
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: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -203.223383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223383 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.006
local terms energy: -77.264151
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -149.177478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.177478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.177478 (E_RNA)
where:
Base-Base interactions energy: -90.913
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.140
local terms energy: -58.124817
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -100.954434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.954434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.954434 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.158
local terms energy: -62.396680
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -103.754439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.754439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.754439 (E_RNA)
where:
Base-Base interactions energy: -47.065
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.035
local terms energy: -56.654506
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -6.513
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -83.150687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150687 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -22.579
Base-Backbone interact. energy: -0.203
local terms energy: -45.428329
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -87.313525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.313525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.313525 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.118
local terms energy: -56.513309
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -8.213
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -92.632466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.632466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.632466 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.103
local terms energy: -56.283389
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -67.761097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.761097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.761097 (E_RNA)
where:
Base-Base interactions energy: -19.597
where: short stacking energy: -19.597
Base-Backbone interact. energy: 1.943
local terms energy: -50.107783
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -223.526628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.526628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.526628 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.015
local terms energy: -80.629314
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -13.203
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: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -210.925026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.925026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.925026 (E_RNA)
where:
Base-Base interactions energy: -132.490
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.067
local terms energy: -78.368632
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.103
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: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -193.607384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.607384 (E_RNA)
where:
Base-Base interactions energy: -122.614
where: short stacking energy: -59.715
Base-Backbone interact. energy: -0.042
local terms energy: -70.950919
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -14.108
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: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -162.456347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.456347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.456347 (E_RNA)
where:
Base-Base interactions energy: -99.204
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.212
local terms energy: -63.040124
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -99.402851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.402851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.402851 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -25.412
Base-Backbone interact. energy: -0.778
local terms energy: -54.067050
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -122.375973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.375973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.375973 (E_RNA)
where:
Base-Base interactions energy: -66.837
where: short stacking energy: -34.434
Base-Backbone interact. energy: 1.055
local terms energy: -56.593367
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -82.666978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666978 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -30.936
Base-Backbone interact. energy: 0.788
local terms energy: -44.779094
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -84.307378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307378 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -9.790
Base-Backbone interact. energy: -0.404
local terms energy: -48.525910
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -84.084366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.084366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.084366 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -26.545
Base-Backbone interact. energy: -0.054
local terms energy: -54.800288
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -79.492060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.492060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.492060 (E_RNA)
where:
Base-Base interactions energy: -34.920
where: short stacking energy: -25.642
Base-Backbone interact. energy: -0.078
local terms energy: -44.493523
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -220.649633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.649633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.649633 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.308
local terms energy: -84.195153
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -12.197
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: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -190.794802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.794802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.794802 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.062
local terms energy: -72.191980
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -209.384780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.384780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.384780 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -68.489
Base-Backbone interact. energy: 0.465
local terms energy: -71.240637
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.353
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -151.665796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.665796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.665796 (E_RNA)
where:
Base-Base interactions energy: -97.816
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.248
local terms energy: -53.601929
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -88.668913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668913 (E_RNA)
where:
Base-Base interactions energy: -31.031
where: short stacking energy: -31.031
Base-Backbone interact. energy: -0.256
local terms energy: -57.381904
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -153.190860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.190860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.190860 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.203
local terms energy: -56.858650
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -81.757935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757935 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -13.434
Base-Backbone interact. energy: 1.478
local terms energy: -49.672359
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -84.151743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.151743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.151743 (E_RNA)
where:
Base-Base interactions energy: -26.660
where: short stacking energy: -21.114
Base-Backbone interact. energy: 0.207
local terms energy: -57.699111
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -78.961359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.961359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.961359 (E_RNA)
where:
Base-Base interactions energy: -27.613
where: short stacking energy: -25.817
Base-Backbone interact. energy: -0.333
local terms energy: -51.015415
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -68.040954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.040954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.040954 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -18.061
Base-Backbone interact. energy: -1.439
local terms energy: -35.380018
where:
bonds (distance) C4'-P energy: -7.018
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -218.366464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.366464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.366464 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.721
local terms energy: -79.249511
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -186.542726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542726 (E_RNA)
where:
Base-Base interactions energy: -116.779
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.494
local terms energy: -69.269408
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.234539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.234539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.234539 (E_RNA)
where:
Base-Base interactions energy: -140.809
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.043
local terms energy: -72.382270
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -134.935493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.935493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.935493 (E_RNA)
where:
Base-Base interactions energy: -76.815
where: short stacking energy: -44.523
Base-Backbone interact. energy: -0.286
local terms energy: -57.834596
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -168.732982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.732982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.732982 (E_RNA)
where:
Base-Base interactions energy: -103.149
where: short stacking energy: -47.888
Base-Backbone interact. energy: -0.010
local terms energy: -65.573556
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.542
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: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -88.755908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755908 (E_RNA)
where:
Base-Base interactions energy: -34.800
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.104
local terms energy: -53.852566
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -4.783
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -89.536943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.536943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.536943 (E_RNA)
where:
Base-Base interactions energy: -31.723
where: short stacking energy: -31.723
Base-Backbone interact. energy: 0.133
local terms energy: -57.946666
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -9.395
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: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -79.871392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.871392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.871392 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.627
local terms energy: -40.084744
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: 2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -74.398229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.398229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.398229 (E_RNA)
where:
Base-Base interactions energy: -24.870
where: short stacking energy: -17.417
Base-Backbone interact. energy: -0.057
local terms energy: -49.471385
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -76.213827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.213827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.213827 (E_RNA)
where:
Base-Base interactions energy: -24.414
where: short stacking energy: -24.614
Base-Backbone interact. energy: -0.322
local terms energy: -51.477206
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -215.706997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706997 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.545
local terms energy: -81.009443
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -22.737
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: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -212.901297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.901297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.901297 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.007
local terms energy: -76.954865
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -183.157886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.157886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.157886 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.049
local terms energy: -69.543448
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -176.974913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.974913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.974913 (E_RNA)
where:
Base-Base interactions energy: -113.136
where: short stacking energy: -50.438
Base-Backbone interact. energy: -0.010
local terms energy: -63.829601
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -11.361
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: 273
Temperature: 1.100000
Total energy: -157.150144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.150144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.150144 (E_RNA)
where:
Base-Base interactions energy: -99.194
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.053
local terms energy: -57.903569
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.346
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: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -90.618862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.618862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.618862 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -36.592
Base-Backbone interact. energy: -0.172
local terms energy: -47.401216
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -94.853232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.853232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.853232 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -34.274
Base-Backbone interact. energy: -0.201
local terms energy: -60.318341
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -87.788036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788036 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -16.896
Base-Backbone interact. energy: -0.410
local terms energy: -56.333010
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -74.668038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.668038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.668038 (E_RNA)
where:
Base-Base interactions energy: -22.250
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.473
local terms energy: -51.945189
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -83.152526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.152526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.152526 (E_RNA)
where:
Base-Base interactions energy: -23.522
where: short stacking energy: -22.969
Base-Backbone interact. energy: -0.006
local terms energy: -59.624568
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -224.539420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.539420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.539420 (E_RNA)
where:
Base-Base interactions energy: -142.891
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.017
local terms energy: -81.630954
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -207.074481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.074481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.074481 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -61.358
Base-Backbone interact. energy: 1.065
local terms energy: -77.503856
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.296
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: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -173.982871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.982871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.982871 (E_RNA)
where:
Base-Base interactions energy: -111.398
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.090
local terms energy: -62.495410
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.223
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: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -175.683227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.683227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.683227 (E_RNA)
where:
Base-Base interactions energy: -105.656
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.015
local terms energy: -70.012099
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.213
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: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -162.382883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.382883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.382883 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -49.439
Base-Backbone interact. energy: 0.077
local terms energy: -69.866755
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -12.104
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: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -105.682849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682849 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -34.473
Base-Backbone interact. energy: 1.437
local terms energy: -59.970892
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.523
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: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -108.210666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.210666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.210666 (E_RNA)
where:
Base-Base interactions energy: -59.151
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.089
local terms energy: -48.970298
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -89.924493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.924493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.924493 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -36.254
Base-Backbone interact. energy: 0.456
local terms energy: -54.126411
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.710228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710228 (E_RNA)
where:
Base-Base interactions energy: -37.643
where: short stacking energy: -19.328
Base-Backbone interact. energy: -0.195
local terms energy: -41.872754
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: 4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -73.160235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.160235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.160235 (E_RNA)
where:
Base-Base interactions energy: -20.086
where: short stacking energy: -19.302
Base-Backbone interact. energy: 0.030
local terms energy: -53.104299
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -11.261
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: 275
Temperature: 0.900000
Total energy: -218.808851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808851 (E_RNA)
where:
Base-Base interactions energy: -142.909
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.031
local terms energy: -75.868340
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -185.320546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.320546 (E_RNA)
where:
Base-Base interactions energy: -113.994
where: short stacking energy: -49.161
Base-Backbone interact. energy: -0.136
local terms energy: -71.190781
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -215.684091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.684091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.684091 (E_RNA)
where:
Base-Base interactions energy: -137.719
where: short stacking energy: -69.879
Base-Backbone interact. energy: -0.000
local terms energy: -77.964805
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.784
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: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -174.538769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.538769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.538769 (E_RNA)
where:
Base-Base interactions energy: -111.241
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.162
local terms energy: -63.135924
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -11.223
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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -185.845578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.845578 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -49.938
Base-Backbone interact. energy: 1.607
local terms energy: -63.244213
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -97.643435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.643435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.643435 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -32.792
Base-Backbone interact. energy: 0.123
local terms energy: -55.058777
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -88.945222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.945222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.945222 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.083
local terms energy: -62.424904
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -77.134293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.134293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.134293 (E_RNA)
where:
Base-Base interactions energy: -25.111
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.153
local terms energy: -51.869789
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -73.694394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.694394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.694394 (E_RNA)
where:
Base-Base interactions energy: -22.401
where: short stacking energy: -22.401
Base-Backbone interact. energy: -0.246
local terms energy: -51.047443
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -68.552559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.552559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.552559 (E_RNA)
where:
Base-Base interactions energy: -22.951
where: short stacking energy: -22.951
Base-Backbone interact. energy: -0.337
local terms energy: -45.265139
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -6.853
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: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -219.491277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.491277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.491277 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -67.890
Base-Backbone interact. energy: -0.031
local terms energy: -77.760653
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -187.437811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.437811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.437811 (E_RNA)
where:
Base-Base interactions energy: -112.137
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.206
local terms energy: -75.095178
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -206.255739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.255739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.255739 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.003
local terms energy: -80.218135
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -165.021392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.021392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.021392 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.085
local terms energy: -62.894247
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -167.010389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.010389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.010389 (E_RNA)
where:
Base-Base interactions energy: -102.087
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.048
local terms energy: -64.875047
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -11.764
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: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -97.917045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.917045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.917045 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -33.238
Base-Backbone interact. energy: 1.767
local terms energy: -55.680814
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -3.327
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: 276
Temperature: 1.200000
Total energy: -82.878870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.878870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.878870 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.558
local terms energy: -51.476377
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -79.980581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.980581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.980581 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.329
local terms energy: -49.525463
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -70.247165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.247165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.247165 (E_RNA)
where:
Base-Base interactions energy: -22.817
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.181
local terms energy: -47.249076
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -93.268597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268597 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -23.938
Base-Backbone interact. energy: -0.136
local terms energy: -60.856766
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -222.345427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.345427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.345427 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.097
local terms energy: -81.813610
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -221.486295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.486295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.486295 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.496
local terms energy: -80.672989
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -21.215
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -195.034504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.034504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.034504 (E_RNA)
where:
Base-Base interactions energy: -131.353
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.072
local terms energy: -63.609079
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.022
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: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -175.164339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.164339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.164339 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -51.011
Base-Backbone interact. energy: -0.089
local terms energy: -65.122851
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -176.775433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.775433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.775433 (E_RNA)
where:
Base-Base interactions energy: -110.812
where: short stacking energy: -50.334
Base-Backbone interact. energy: -0.793
local terms energy: -65.171026
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -17.281
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: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -91.595775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.595775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.595775 (E_RNA)
where:
Base-Base interactions energy: -47.076
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.156
local terms energy: -44.364174
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -88.084184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.084184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.084184 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -30.794
Base-Backbone interact. energy: -0.238
local terms energy: -57.052607
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -81.664349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.664349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.664349 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.055
local terms energy: -45.146753
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -79.070826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.070826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.070826 (E_RNA)
where:
Base-Base interactions energy: -24.559
where: short stacking energy: -20.309
Base-Backbone interact. energy: -0.124
local terms energy: -54.387087
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -76.126256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.126256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.126256 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -18.159
Base-Backbone interact. energy: -0.100
local terms energy: -45.344811
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -219.654013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654013 (E_RNA)
where:
Base-Base interactions energy: -137.749
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.006
local terms energy: -81.898646
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -219.136883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136883 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.234
local terms energy: -81.786937
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -198.774758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774758 (E_RNA)
where:
Base-Base interactions energy: -128.015
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.846
local terms energy: -69.913742
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -181.433160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.433160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.433160 (E_RNA)
where:
Base-Base interactions energy: -117.749
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.416
local terms energy: -63.268700
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -7.133
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: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -174.343605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.343605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.343605 (E_RNA)
where:
Base-Base interactions energy: -105.848
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.005
local terms energy: -68.490275
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -94.568812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.568812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.568812 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.660
local terms energy: -59.162262
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -94.099240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099240 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -28.367
Base-Backbone interact. energy: 0.067
local terms energy: -57.177552
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -89.505872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505872 (E_RNA)
where:
Base-Base interactions energy: -35.802
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.008
local terms energy: -53.695807
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -86.379597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379597 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -29.609
Base-Backbone interact. energy: 0.356
local terms energy: -55.818726
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -72.177831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.177831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.177831 (E_RNA)
where:
Base-Base interactions energy: -26.261
where: short stacking energy: -17.674
Base-Backbone interact. energy: -0.166
local terms energy: -45.750810
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -211.966537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966537 (E_RNA)
where:
Base-Base interactions energy: -137.369
where: short stacking energy: -67.080
Base-Backbone interact. energy: 0.596
local terms energy: -75.193225
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -216.342592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342592 (E_RNA)
where:
Base-Base interactions energy: -138.333
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.023
local terms energy: -77.986136
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -181.031186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.031186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.031186 (E_RNA)
where:
Base-Base interactions energy: -111.139
where: short stacking energy: -53.230
Base-Backbone interact. energy: -0.078
local terms energy: -69.814554
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.959
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: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -186.162883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.162883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.162883 (E_RNA)
where:
Base-Base interactions energy: -109.870
where: short stacking energy: -60.365
Base-Backbone interact. energy: -0.094
local terms energy: -76.198308
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.170
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -165.819338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.819338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.819338 (E_RNA)
where:
Base-Base interactions energy: -101.445
where: short stacking energy: -42.243
Base-Backbone interact. energy: -0.022
local terms energy: -64.352205
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -95.328267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.328267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.328267 (E_RNA)
where:
Base-Base interactions energy: -43.256
where: short stacking energy: -27.867
Base-Backbone interact. energy: -0.127
local terms energy: -51.944890
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -79.814104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.814104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.814104 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.077
local terms energy: -47.093226
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: 1.124
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: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -79.606418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606418 (E_RNA)
where:
Base-Base interactions energy: -25.762
where: short stacking energy: -25.762
Base-Backbone interact. energy: -0.024
local terms energy: -53.820177
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -79.113536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113536 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.113
local terms energy: -52.798367
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -70.517672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.517672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.517672 (E_RNA)
where:
Base-Base interactions energy: -21.648
where: short stacking energy: -21.550
Base-Backbone interact. energy: -0.134
local terms energy: -48.735813
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -221.273884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.273884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.273884 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.723
local terms energy: -81.626832
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -10.212
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: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -212.948349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948349 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -66.072
Base-Backbone interact. energy: -0.660
local terms energy: -71.800283
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -17.073
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: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -191.016530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016530 (E_RNA)
where:
Base-Base interactions energy: -115.899
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.100
local terms energy: -75.017317
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -174.595100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.595100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.595100 (E_RNA)
where:
Base-Base interactions energy: -116.977
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.336
local terms energy: -57.281651
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -153.916187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.916187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.916187 (E_RNA)
where:
Base-Base interactions energy: -90.255
where: short stacking energy: -51.771
Base-Backbone interact. energy: -0.653
local terms energy: -63.007583
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -112.103573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.103573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.103573 (E_RNA)
where:
Base-Base interactions energy: -58.673
where: short stacking energy: -34.647
Base-Backbone interact. energy: 0.415
local terms energy: -53.845668
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -80.787448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.787448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.787448 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.093
local terms energy: -50.171765
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -95.216082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.216082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.216082 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.158
local terms energy: -56.117536
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -7.793
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: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -75.931683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.931683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.931683 (E_RNA)
where:
Base-Base interactions energy: -29.728
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.767
local terms energy: -45.436879
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -0.420
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -79.256069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.256069 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -18.460
Base-Backbone interact. energy: -0.169
local terms energy: -47.793344
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: 0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -213.731488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731488 (E_RNA)
where:
Base-Base interactions energy: -132.793
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.145
local terms energy: -80.793823
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -206.973964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.973964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.973964 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -56.967
Base-Backbone interact. energy: -0.070
local terms energy: -68.591515
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.563
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: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -184.622537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.622537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.622537 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.002
local terms energy: -69.358575
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.807
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -184.100571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.100571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.100571 (E_RNA)
where:
Base-Base interactions energy: -121.720
where: short stacking energy: -51.578
Base-Backbone interact. energy: 0.945
local terms energy: -63.325549
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -10.679
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: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -160.618951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.618951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.618951 (E_RNA)
where:
Base-Base interactions energy: -102.583
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.183
local terms energy: -57.852224
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -112.282136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.282136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.282136 (E_RNA)
where:
Base-Base interactions energy: -64.000
where: short stacking energy: -25.336
Base-Backbone interact. energy: -0.735
local terms energy: -47.546813
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -86.248944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248944 (E_RNA)
where:
Base-Base interactions energy: -38.514
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.140
local terms energy: -47.595167
where:
bonds (distance) C4'-P energy: -7.137
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -86.652291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.652291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.652291 (E_RNA)
where:
Base-Base interactions energy: -28.764
where: short stacking energy: -24.838
Base-Backbone interact. energy: -0.655
local terms energy: -57.233369
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: 0.323
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -90.919171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919171 (E_RNA)
where:
Base-Base interactions energy: -51.283
where: short stacking energy: -18.067
Base-Backbone interact. energy: 1.146
local terms energy: -40.782518
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -79.102131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102131 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.478
local terms energy: -50.694925
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -214.736714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.736714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.736714 (E_RNA)
where:
Base-Base interactions energy: -133.911
where: short stacking energy: -66.161
Base-Backbone interact. energy: -0.000
local terms energy: -80.825457
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -208.016851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.016851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.016851 (E_RNA)
where:
Base-Base interactions energy: -134.135
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.244
local terms energy: -73.637492
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -10.269
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: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -183.574956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.574956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574956 (E_RNA)
where:
Base-Base interactions energy: -127.061
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.207
local terms energy: -56.306612
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -179.602643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.602643 (E_RNA)
where:
Base-Base interactions energy: -117.862
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.011
local terms energy: -61.729761
where:
bonds (distance) C4'-P energy: -7.056
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -165.864122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.864122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.864122 (E_RNA)
where:
Base-Base interactions energy: -113.194
where: short stacking energy: -42.931
Base-Backbone interact. energy: 0.163
local terms energy: -52.832769
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -4.368
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -96.815175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.815175 (E_RNA)
where:
Base-Base interactions energy: -34.001
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.273
local terms energy: -62.541482
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -5.856
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: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -99.552357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.552357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.552357 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -29.694
Base-Backbone interact. energy: -0.916
local terms energy: -50.554766
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -97.213853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.213853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.213853 (E_RNA)
where:
Base-Base interactions energy: -50.286
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.321
local terms energy: -46.607455
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -4.901
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: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -80.940398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.940398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.940398 (E_RNA)
where:
Base-Base interactions energy: -26.414
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.385
local terms energy: -54.141579
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -82.762403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.762403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.762403 (E_RNA)
where:
Base-Base interactions energy: -24.704
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.006
local terms energy: -58.052223
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -217.465529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.465529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.465529 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.002
local terms energy: -78.755666
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -11.855
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: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -214.417859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.417859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.417859 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.072
local terms energy: -79.795022
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -170.244290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.244290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.244290 (E_RNA)
where:
Base-Base interactions energy: -103.408
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.079
local terms energy: -66.757376
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -14.988
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: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -168.444635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.444635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.444635 (E_RNA)
where:
Base-Base interactions energy: -110.815
where: short stacking energy: -50.343
Base-Backbone interact. energy: 0.752
local terms energy: -58.382118
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -171.628469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.628469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.628469 (E_RNA)
where:
Base-Base interactions energy: -104.175
where: short stacking energy: -46.751
Base-Backbone interact. energy: -0.061
local terms energy: -67.392354
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -16.534
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: 283
Temperature: 1.150000
Total energy: -106.758166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.758166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.758166 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -41.013
Base-Backbone interact. energy: -0.003
local terms energy: -63.365428
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.377
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -118.063457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.063457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.063457 (E_RNA)
where:
Base-Base interactions energy: -63.034
where: short stacking energy: -27.356
Base-Backbone interact. energy: -0.023
local terms energy: -55.005994
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -86.952920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952920 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.165
local terms energy: -53.898423
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -79.000610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.000610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.000610 (E_RNA)
where:
Base-Base interactions energy: -28.653
where: short stacking energy: -28.653
Base-Backbone interact. energy: -0.085
local terms energy: -50.262695
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -75.790373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.790373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.790373 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -20.328
Base-Backbone interact. energy: -0.261
local terms energy: -51.520156
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -0.969
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: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -220.907637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.907637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.907637 (E_RNA)
where:
Base-Base interactions energy: -137.961
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.775
local terms energy: -82.171423
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -196.763926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.763926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.763926 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -63.151
Base-Backbone interact. energy: 0.073
local terms energy: -77.191404
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -16.834
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: 284
Temperature: 1.000000
Total energy: -188.910527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.910527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.910527 (E_RNA)
where:
Base-Base interactions energy: -122.137
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.031
local terms energy: -66.742324
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -157.304224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.304224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.304224 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.272
local terms energy: -63.222283
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -168.161421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.161421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.161421 (E_RNA)
where:
Base-Base interactions energy: -101.020
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.009
local terms energy: -67.131821
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -89.871122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.871122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.871122 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.262
local terms energy: -59.655130
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -88.951848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.951848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.951848 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -28.551
Base-Backbone interact. energy: 0.909
local terms energy: -54.030631
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -119.494557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.494557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.494557 (E_RNA)
where:
Base-Base interactions energy: -67.974
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.065
local terms energy: -51.455474
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -84.078573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078573 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.193
local terms energy: -51.265582
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -75.113668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.113668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.113668 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.121
local terms energy: -44.511807
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -216.552980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.552980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.552980 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -60.760
Base-Backbone interact. energy: 0.676
local terms energy: -81.755290
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -13.480
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: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -208.180341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180341 (E_RNA)
where:
Base-Base interactions energy: -130.946
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.240
local terms energy: -76.994328
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -19.312
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -199.264887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.264887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.264887 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.044
local terms energy: -71.065470
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -188.590804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590804 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.008
local terms energy: -73.582002
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -18.915
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -158.714901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.714901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.714901 (E_RNA)
where:
Base-Base interactions energy: -94.652
where: short stacking energy: -45.602
Base-Backbone interact. energy: 0.303
local terms energy: -64.365464
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -88.225087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.225087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.225087 (E_RNA)
where:
Base-Base interactions energy: -28.918
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.109
local terms energy: -59.197949
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -76.944979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.944979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.944979 (E_RNA)
where:
Base-Base interactions energy: -26.785
where: short stacking energy: -22.894
Base-Backbone interact. energy: -0.308
local terms energy: -49.852147
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -72.787819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.787819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.787819 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -20.283
Base-Backbone interact. energy: 0.092
local terms energy: -40.907903
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: 4.670
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: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -97.137733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.137733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.137733 (E_RNA)
where:
Base-Base interactions energy: -52.843
where: short stacking energy: -34.751
Base-Backbone interact. energy: -0.156
local terms energy: -44.138217
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -77.598981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.598981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.598981 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.033
local terms energy: -51.024581
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -6.920
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: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -209.082355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.082355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.082355 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.127
local terms energy: -76.359337
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -208.342167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342167 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.081
local terms energy: -74.019281
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -188.195412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.195412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.195412 (E_RNA)
where:
Base-Base interactions energy: -117.081
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.004
local terms energy: -71.110026
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -192.798792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.798792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.798792 (E_RNA)
where:
Base-Base interactions energy: -124.149
where: short stacking energy: -58.851
Base-Backbone interact. energy: 0.118
local terms energy: -68.768525
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -162.743365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.743365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.743365 (E_RNA)
where:
Base-Base interactions energy: -96.071
where: short stacking energy: -43.509
Base-Backbone interact. energy: -0.105
local terms energy: -66.566794
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.599
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: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -90.620613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620613 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -27.662
Base-Backbone interact. energy: -1.242
local terms energy: -44.476123
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -82.945971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945971 (E_RNA)
where:
Base-Base interactions energy: -27.349
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.007
local terms energy: -55.590299
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -1.787
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: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -76.145448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.145448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.145448 (E_RNA)
where:
Base-Base interactions energy: -33.484
where: short stacking energy: -33.484
Base-Backbone interact. energy: 0.096
local terms energy: -42.757712
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -97.866212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.866212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.866212 (E_RNA)
where:
Base-Base interactions energy: -44.123
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.104
local terms energy: -53.638604
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -7.549
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -69.612300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.612300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.612300 (E_RNA)
where:
Base-Base interactions energy: -20.419
where: short stacking energy: -10.292
Base-Backbone interact. energy: -0.069
local terms energy: -49.123901
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: 3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -218.940425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.940425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.940425 (E_RNA)
where:
Base-Base interactions energy: -141.448
where: short stacking energy: -66.749
Base-Backbone interact. energy: -1.170
local terms energy: -76.322463
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -21.264
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: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -200.551913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.551913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551913 (E_RNA)
where:
Base-Base interactions energy: -123.477
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.001
local terms energy: -77.073803
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -208.941613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.941613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.941613 (E_RNA)
where:
Base-Base interactions energy: -133.618
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.001
local terms energy: -75.322400
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -168.993612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.993612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.993612 (E_RNA)
where:
Base-Base interactions energy: -97.669
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.059
local terms energy: -71.266126
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.653
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: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -151.184428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.184428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.184428 (E_RNA)
where:
Base-Base interactions energy: -98.331
where: short stacking energy: -42.768
Base-Backbone interact. energy: -1.039
local terms energy: -51.815137
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: 0.130
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -82.651224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.651224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.651224 (E_RNA)
where:
Base-Base interactions energy: -30.112
where: short stacking energy: -27.745
Base-Backbone interact. energy: 0.966
local terms energy: -53.505439
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -88.884793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.884793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.884793 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -35.308
Base-Backbone interact. energy: -0.173
local terms energy: -45.167225
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -7.881
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -80.558115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.558115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.558115 (E_RNA)
where:
Base-Base interactions energy: -24.006
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.101
local terms energy: -56.451099
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -8.387
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -81.584377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.584377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.584377 (E_RNA)
where:
Base-Base interactions energy: -33.262
where: short stacking energy: -23.682
Base-Backbone interact. energy: -0.334
local terms energy: -47.988178
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: 1.732
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: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -75.316187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.316187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.316187 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.615
local terms energy: -43.522265
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -2.177
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -207.797778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797778 (E_RNA)
where:
Base-Base interactions energy: -125.511
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.580
local terms energy: -81.706117
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -210.504156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.504156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.504156 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.108
local terms energy: -74.093286
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -212.295420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.295420 (E_RNA)
where:
Base-Base interactions energy: -132.866
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.025
local terms energy: -79.403747
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -23.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -181.699989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.699989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.699989 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.004
local terms energy: -67.294306
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -8.290
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: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -139.746364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.746364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.746364 (E_RNA)
where:
Base-Base interactions energy: -82.163
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.092
local terms energy: -57.491619
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -90.881908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.881908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.881908 (E_RNA)
where:
Base-Base interactions energy: -35.589
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.002
local terms energy: -55.291565
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -8.211
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: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -90.513078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.513078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.513078 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -19.640
Base-Backbone interact. energy: -0.193
local terms energy: -56.127892
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -84.623775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623775 (E_RNA)
where:
Base-Base interactions energy: -29.956
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.115
local terms energy: -54.553093
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -94.630941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.630941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.630941 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.120
local terms energy: -59.974032
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -73.763584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.763584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.763584 (E_RNA)
where:
Base-Base interactions energy: -25.405
where: short stacking energy: -21.341
Base-Backbone interact. energy: -0.921
local terms energy: -47.437607
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -203.825398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.825398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.825398 (E_RNA)
where:
Base-Base interactions energy: -125.131
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.009
local terms energy: -78.685350
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -220.061813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061813 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.485
local terms energy: -80.785615
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -12.582
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: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -216.131361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.131361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.131361 (E_RNA)
where:
Base-Base interactions energy: -140.425
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.026
local terms energy: -75.680860
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.242
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: 289
Temperature: 1.050000
Total energy: -175.603212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.603212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603212 (E_RNA)
where:
Base-Base interactions energy: -110.181
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.024
local terms energy: -65.398017
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -147.817652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.817652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.817652 (E_RNA)
where:
Base-Base interactions energy: -92.848
where: short stacking energy: -49.818
Base-Backbone interact. energy: -0.030
local terms energy: -54.940102
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.947
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: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -86.075675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.075675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.075675 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -28.797
Base-Backbone interact. energy: -0.823
local terms energy: -54.778801
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -91.997272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.997272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.997272 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.153
local terms energy: -51.834134
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -9.976
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -84.642248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642248 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -18.539
Base-Backbone interact. energy: -0.158
local terms energy: -43.686128
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: 1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -98.538395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.538395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.538395 (E_RNA)
where:
Base-Base interactions energy: -47.954
where: short stacking energy: -24.422
Base-Backbone interact. energy: -0.013
local terms energy: -50.572062
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -69.174877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.174877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.174877 (E_RNA)
where:
Base-Base interactions energy: -20.787
where: short stacking energy: -17.755
Base-Backbone interact. energy: 0.221
local terms energy: -48.609555
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: 0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -204.004585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.004585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.004585 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.001
local terms energy: -80.850034
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.400
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: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -213.690666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690666 (E_RNA)
where:
Base-Base interactions energy: -135.853
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.232
local terms energy: -77.604779
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -211.480299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.480299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.480299 (E_RNA)
where:
Base-Base interactions energy: -127.551
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.002
local terms energy: -83.926808
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -177.126496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.126496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.126496 (E_RNA)
where:
Base-Base interactions energy: -106.357
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.790
local terms energy: -69.979167
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -160.321256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.321256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.321256 (E_RNA)
where:
Base-Base interactions energy: -97.065
where: short stacking energy: -50.511
Base-Backbone interact. energy: -0.086
local terms energy: -63.169885
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -104.646281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.646281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.646281 (E_RNA)
where:
Base-Base interactions energy: -57.406
where: short stacking energy: -29.090
Base-Backbone interact. energy: -0.863
local terms energy: -46.377890
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: 1.526
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: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -105.495156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.495156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.495156 (E_RNA)
where:
Base-Base interactions energy: -53.660
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.023
local terms energy: -51.811925
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -85.235830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.235830 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -30.588
Base-Backbone interact. energy: -0.014
local terms energy: -54.632952
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -81.176475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176475 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.086
local terms energy: -53.788779
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -76.066094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.066094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.066094 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -19.776
Base-Backbone interact. energy: -0.134
local terms energy: -52.196063
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: 2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -201.985790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985790 (E_RNA)
where:
Base-Base interactions energy: -125.254
where: short stacking energy: -68.734
Base-Backbone interact. energy: -0.000
local terms energy: -76.731152
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -215.844382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844382 (E_RNA)
where:
Base-Base interactions energy: -136.994
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.099
local terms energy: -78.751350
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -212.701425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701425 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.015
local terms energy: -78.450139
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -170.848753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.848753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.848753 (E_RNA)
where:
Base-Base interactions energy: -102.988
where: short stacking energy: -50.336
Base-Backbone interact. energy: -0.028
local terms energy: -67.832331
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.960
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: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -167.592924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592924 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -50.922
Base-Backbone interact. energy: -0.023
local terms energy: -71.085586
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -5.907
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -121.448332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.448332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.448332 (E_RNA)
where:
Base-Base interactions energy: -71.588
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.111
local terms energy: -49.749411
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.960
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: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -88.379114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379114 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -33.398
Base-Backbone interact. energy: -0.064
local terms energy: -54.917218
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -88.351511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.351511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.351511 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.570
local terms energy: -51.907019
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -84.679439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679439 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.280
local terms energy: -51.367009
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -3.599
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -71.319326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.319326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.319326 (E_RNA)
where:
Base-Base interactions energy: -19.261
where: short stacking energy: -19.257
Base-Backbone interact. energy: -0.381
local terms energy: -51.676928
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -204.368055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.368055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.368055 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -66.950
Base-Backbone interact. energy: -0.016
local terms energy: -76.232366
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -6.339
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -215.493732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.493732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.493732 (E_RNA)
where:
Base-Base interactions energy: -131.715
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.002
local terms energy: -83.776948
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -11.027
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: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -216.818484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.818484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.818484 (E_RNA)
where:
Base-Base interactions energy: -139.407
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.004
local terms energy: -77.407144
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -7.201
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -163.694570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.694570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.694570 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -42.498
Base-Backbone interact. energy: -0.052
local terms energy: -63.204777
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -11.216
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: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -163.274482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.274482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.274482 (E_RNA)
where:
Base-Base interactions energy: -103.599
where: short stacking energy: -48.441
Base-Backbone interact. energy: 1.211
local terms energy: -60.885753
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.688
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: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -87.441762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441762 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.145
local terms energy: -50.483410
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -84.939145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939145 (E_RNA)
where:
Base-Base interactions energy: -36.630
where: short stacking energy: -33.355
Base-Backbone interact. energy: -0.024
local terms energy: -48.285876
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -85.215069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.215069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.215069 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -32.818
Base-Backbone interact. energy: -0.018
local terms energy: -52.379120
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -97.908904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.908904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.908904 (E_RNA)
where:
Base-Base interactions energy: -53.464
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.247
local terms energy: -44.197545
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -74.621609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.621609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.621609 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -28.338
Base-Backbone interact. energy: 0.692
local terms energy: -43.005130
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: 1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -199.259489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.259489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.259489 (E_RNA)
where:
Base-Base interactions energy: -122.132
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.000
local terms energy: -77.127024
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.601
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: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -213.520182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.520182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.520182 (E_RNA)
where:
Base-Base interactions energy: -139.485
where: short stacking energy: -69.645
Base-Backbone interact. energy: 0.752
local terms energy: -74.786308
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -20.989
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: 293
Temperature: 1.000000
Total energy: -204.199388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.199388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.199388 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.579
local terms energy: -75.271809
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -182.563283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.563283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.563283 (E_RNA)
where:
Base-Base interactions energy: -117.534
where: short stacking energy: -48.903
Base-Backbone interact. energy: -0.060
local terms energy: -64.969339
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -179.627394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.627394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.627394 (E_RNA)
where:
Base-Base interactions energy: -117.000
where: short stacking energy: -42.006
Base-Backbone interact. energy: -0.015
local terms energy: -62.612659
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -116.622978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.622978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.622978 (E_RNA)
where:
Base-Base interactions energy: -58.587
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.151
local terms energy: -57.884818
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.017
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -83.844926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.844926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.844926 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -26.827
Base-Backbone interact. energy: 0.496
local terms energy: -53.837082
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -87.504308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.504308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.504308 (E_RNA)
where:
Base-Base interactions energy: -30.568
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.360
local terms energy: -56.575797
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -72.095691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.095691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.095691 (E_RNA)
where:
Base-Base interactions energy: -23.451
where: short stacking energy: -23.451
Base-Backbone interact. energy: 0.499
local terms energy: -49.142913
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.101155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.101155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.101155 (E_RNA)
where:
Base-Base interactions energy: -24.606
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.260
local terms energy: -53.234830
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -4.534
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: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -213.661698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.661698 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -62.991
Base-Backbone interact. energy: -1.077
local terms energy: -80.831022
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -193.110686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.110686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.110686 (E_RNA)
where:
Base-Base interactions energy: -112.296
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.587
local terms energy: -80.227415
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -204.242147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.242147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.242147 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -60.810
Base-Backbone interact. energy: 0.133
local terms energy: -74.039150
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.320
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: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -174.147145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.147145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.147145 (E_RNA)
where:
Base-Base interactions energy: -106.014
where: short stacking energy: -51.565
Base-Backbone interact. energy: 0.717
local terms energy: -68.850234
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -173.842507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.842507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.842507 (E_RNA)
where:
Base-Base interactions energy: -120.782
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.010
local terms energy: -53.049821
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -7.120
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -12.533
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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -89.647509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647509 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -32.517
Base-Backbone interact. energy: 1.004
local terms energy: -56.708180
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -88.697435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.697435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.697435 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -29.907
Base-Backbone interact. energy: 0.213
local terms energy: -47.527223
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: 0.752
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: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -92.826787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826787 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.017
local terms energy: -55.477725
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -89.221355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221355 (E_RNA)
where:
Base-Base interactions energy: -49.171
where: short stacking energy: -27.649
Base-Backbone interact. energy: -0.291
local terms energy: -39.759026
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -72.229409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.229409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.229409 (E_RNA)
where:
Base-Base interactions energy: -24.363
where: short stacking energy: -23.555
Base-Backbone interact. energy: -0.122
local terms energy: -47.744357
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -215.612298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612298 (E_RNA)
where:
Base-Base interactions energy: -137.681
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.497
local terms energy: -77.434524
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.450
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: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -214.940539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.940539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.940539 (E_RNA)
where:
Base-Base interactions energy: -139.726
where: short stacking energy: -62.922
Base-Backbone interact. energy: 0.392
local terms energy: -75.606224
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -9.630
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: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -190.746786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.746786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.746786 (E_RNA)
where:
Base-Base interactions energy: -115.334
where: short stacking energy: -55.541
Base-Backbone interact. energy: -0.060
local terms energy: -75.352696
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -18.077
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -185.387475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.387475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.387475 (E_RNA)
where:
Base-Base interactions energy: -112.866
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.305
local terms energy: -72.216190
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.551
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -161.153556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.153556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.153556 (E_RNA)
where:
Base-Base interactions energy: -95.609
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.016
local terms energy: -65.528241
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.313
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: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -90.941173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.941173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.941173 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.001
local terms energy: -56.843015
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -91.558277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558277 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.129
local terms energy: -53.457452
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -75.129964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129964 (E_RNA)
where:
Base-Base interactions energy: -21.316
where: short stacking energy: -20.742
Base-Backbone interact. energy: -0.119
local terms energy: -53.694835
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.388
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: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -77.855653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.855653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.855653 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -25.595
Base-Backbone interact. energy: 0.393
local terms energy: -50.384970
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -76.217977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.217977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.217977 (E_RNA)
where:
Base-Base interactions energy: -33.008
where: short stacking energy: -33.008
Base-Backbone interact. energy: -0.089
local terms energy: -43.121283
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -6.687
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: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -209.085042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.085042 (E_RNA)
where:
Base-Base interactions energy: -134.616
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.285
local terms energy: -74.184024
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -11.909
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -207.140715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.140715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140715 (E_RNA)
where:
Base-Base interactions energy: -125.287
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.588
local terms energy: -81.265045
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.614
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: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -185.712416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.712416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.712416 (E_RNA)
where:
Base-Base interactions energy: -110.307
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.052
local terms energy: -75.353502
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -173.739082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.739082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.739082 (E_RNA)
where:
Base-Base interactions energy: -111.070
where: short stacking energy: -58.934
Base-Backbone interact. energy: 1.006
local terms energy: -63.674372
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.274
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: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -157.767337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.767337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.767337 (E_RNA)
where:
Base-Base interactions energy: -100.199
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.037
local terms energy: -57.531613
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -92.403264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403264 (E_RNA)
where:
Base-Base interactions energy: -30.460
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.029
local terms energy: -61.914482
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.267
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: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -87.244436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.244436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.244436 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.752
local terms energy: -46.105739
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -82.886200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886200 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.122
local terms energy: -47.310023
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -75.412859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.412859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.412859 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.002
local terms energy: -46.052389
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -3.866
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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -75.299566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.299566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.299566 (E_RNA)
where:
Base-Base interactions energy: -19.912
where: short stacking energy: -19.295
Base-Backbone interact. energy: -0.011
local terms energy: -55.375934
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -213.732658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.732658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.732658 (E_RNA)
where:
Base-Base interactions energy: -135.227
where: short stacking energy: -65.073
Base-Backbone interact. energy: -0.010
local terms energy: -78.496129
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.684
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: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -216.696581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696581 (E_RNA)
where:
Base-Base interactions energy: -132.865
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.052
local terms energy: -83.779219
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -172.194357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.194357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.194357 (E_RNA)
where:
Base-Base interactions energy: -105.579
where: short stacking energy: -52.390
Base-Backbone interact. energy: -0.216
local terms energy: -66.400147
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -183.379001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379001 (E_RNA)
where:
Base-Base interactions energy: -110.977
where: short stacking energy: -55.250
Base-Backbone interact. energy: -0.037
local terms energy: -72.365103
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -145.487849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.487849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.487849 (E_RNA)
where:
Base-Base interactions energy: -80.749
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.781
local terms energy: -63.958362
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -8.997
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: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -89.879853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.879853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.879853 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -30.562
Base-Backbone interact. energy: 0.417
local terms energy: -56.958981
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -91.939353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939353 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.171
local terms energy: -51.887348
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -85.766784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766784 (E_RNA)
where:
Base-Base interactions energy: -40.981
where: short stacking energy: -24.210
Base-Backbone interact. energy: -0.150
local terms energy: -44.635220
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: 3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -91.015100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015100 (E_RNA)
where:
Base-Base interactions energy: -50.091
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.469
local terms energy: -40.455096
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -73.181788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.181788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.181788 (E_RNA)
where:
Base-Base interactions energy: -24.433
where: short stacking energy: -21.651
Base-Backbone interact. energy: -0.298
local terms energy: -48.451107
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -219.681608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.681608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.681608 (E_RNA)
where:
Base-Base interactions energy: -138.823
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.053
local terms energy: -80.806225
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.164
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -206.286940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.286940 (E_RNA)
where:
Base-Base interactions energy: -136.059
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.001
local terms energy: -70.227193
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.871
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: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -190.358874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.358874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.358874 (E_RNA)
where:
Base-Base interactions energy: -111.001
where: short stacking energy: -59.001
Base-Backbone interact. energy: 1.122
local terms energy: -80.479967
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -166.129976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.129976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.129976 (E_RNA)
where:
Base-Base interactions energy: -101.243
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.136
local terms energy: -64.751425
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -163.791447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.791447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.791447 (E_RNA)
where:
Base-Base interactions energy: -109.611
where: short stacking energy: -49.696
Base-Backbone interact. energy: -0.035
local terms energy: -54.144477
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -6.128
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -81.866639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866639 (E_RNA)
where:
Base-Base interactions energy: -25.794
where: short stacking energy: -18.834
Base-Backbone interact. energy: -0.924
local terms energy: -55.147769
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -0.079
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: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -99.322990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.322990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.322990 (E_RNA)
where:
Base-Base interactions energy: -42.568
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.044
local terms energy: -56.710814
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -8.400
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: 298
Temperature: 1.250000
Total energy: -76.766847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.766847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.766847 (E_RNA)
where:
Base-Base interactions energy: -21.617
where: short stacking energy: -19.515
Base-Backbone interact. energy: -0.178
local terms energy: -54.971992
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -76.949154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949154 (E_RNA)
where:
Base-Base interactions energy: -21.647
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.142
local terms energy: -55.160197
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -71.101822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.101822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.101822 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.385
local terms energy: -35.672515
where:
bonds (distance) C4'-P energy: -6.299
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -223.401203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.401203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.401203 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.010
local terms energy: -85.777555
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -208.863082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.863082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863082 (E_RNA)
where:
Base-Base interactions energy: -126.109
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.010
local terms energy: -82.743748
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -189.901924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.901924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.901924 (E_RNA)
where:
Base-Base interactions energy: -123.066
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.062
local terms energy: -66.773773
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.247
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -180.098181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.098181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.098181 (E_RNA)
where:
Base-Base interactions energy: -106.860
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.046
local terms energy: -73.192450
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.203
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: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -163.359955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.359955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.359955 (E_RNA)
where:
Base-Base interactions energy: -101.317
where: short stacking energy: -42.694
Base-Backbone interact. energy: -0.530
local terms energy: -61.513266
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -101.026087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.026087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.026087 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -34.930
Base-Backbone interact. energy: -0.113
local terms energy: -62.080055
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -81.151374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.151374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.151374 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.106
local terms energy: -54.817011
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -1.246
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: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -81.053328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053328 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.148
local terms energy: -49.510596
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -70.211221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.211221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.211221 (E_RNA)
where:
Base-Base interactions energy: -21.286
where: short stacking energy: -21.286
Base-Backbone interact. energy: -0.080
local terms energy: -48.844569
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -69.263476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.263476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.263476 (E_RNA)
where:
Base-Base interactions energy: -23.441
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.166
local terms energy: -45.656340
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -220.179023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179023 (E_RNA)
where:
Base-Base interactions energy: -140.399
where: short stacking energy: -66.097
Base-Backbone interact. energy: 0.230
local terms energy: -80.009507
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -219.081366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.081366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.081366 (E_RNA)
where:
Base-Base interactions energy: -141.391
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.646
local terms energy: -77.044776
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -191.512026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.512026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.512026 (E_RNA)
where:
Base-Base interactions energy: -120.999
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.120
local terms energy: -70.392509
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -188.240417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.240417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.240417 (E_RNA)
where:
Base-Base interactions energy: -111.264
where: short stacking energy: -52.900
Base-Backbone interact. energy: -0.002
local terms energy: -76.974562
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -17.275
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -152.759136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.759136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.759136 (E_RNA)
where:
Base-Base interactions energy: -88.288
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.140
local terms energy: -64.331554
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -14.041
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: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -107.092595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.092595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.092595 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -35.974
Base-Backbone interact. energy: -0.022
local terms energy: -58.212223
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -85.197109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.197109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.197109 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -19.356
Base-Backbone interact. energy: -0.009
local terms energy: -54.525031
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.175821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.175821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.175821 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -29.801
Base-Backbone interact. energy: -0.595
local terms energy: -58.483665
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -82.846506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.846506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.846506 (E_RNA)
where:
Base-Base interactions energy: -25.061
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.304
local terms energy: -57.481738
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -72.328683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.328683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.328683 (E_RNA)
where:
Base-Base interactions energy: -23.094
where: short stacking energy: -17.618
Base-Backbone interact. energy: -0.727
local terms energy: -48.507265
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -0.532
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -217.868400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.868400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.868400 (E_RNA)
where:
Base-Base interactions energy: -132.099
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.015
local terms energy: -85.754926
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -12.983
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: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -216.651894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.651894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.651894 (E_RNA)
where:
Base-Base interactions energy: -138.007
where: short stacking energy: -67.480
Base-Backbone interact. energy: -1.530
local terms energy: -77.115176
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -192.188887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188887 (E_RNA)
where:
Base-Base interactions energy: -121.185
where: short stacking energy: -46.208
Base-Backbone interact. energy: -0.648
local terms energy: -70.355156
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.744
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: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -169.356823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.356823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.356823 (E_RNA)
where:
Base-Base interactions energy: -102.798
where: short stacking energy: -42.020
Base-Backbone interact. energy: 0.011
local terms energy: -66.569369
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -176.146309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.146309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.146309 (E_RNA)
where:
Base-Base interactions energy: -107.640
where: short stacking energy: -52.238
Base-Backbone interact. energy: 0.497
local terms energy: -69.002532
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -91.226045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.226045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.226045 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.213
local terms energy: -47.028478
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: 0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -79.148343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.148343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.148343 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.159
local terms energy: -41.318474
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -85.365851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365851 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -21.889
Base-Backbone interact. energy: -0.568
local terms energy: -53.195988
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -73.556675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.556675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.556675 (E_RNA)
where:
Base-Base interactions energy: -22.989
where: short stacking energy: -17.556
Base-Backbone interact. energy: -0.210
local terms energy: -50.357604
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -72.397020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.397020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.397020 (E_RNA)
where:
Base-Base interactions energy: -20.889
where: short stacking energy: -21.458
Base-Backbone interact. energy: -0.144
local terms energy: -51.364003
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.596
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: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -215.755336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.755336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.755336 (E_RNA)
where:
Base-Base interactions energy: -136.082
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.011
local terms energy: -79.662590
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -215.261082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.261082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.261082 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.623
local terms energy: -73.781035
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -22.927
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: 302
Temperature: 1.000000
Total energy: -166.604819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.604819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.604819 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -38.556
Base-Backbone interact. energy: -0.706
local terms energy: -70.132136
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -11.158
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -181.192840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.192840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192840 (E_RNA)
where:
Base-Base interactions energy: -117.147
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.112
local terms energy: -63.933810
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -175.969950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.969950 (E_RNA)
where:
Base-Base interactions energy: -104.013
where: short stacking energy: -49.768
Base-Backbone interact. energy: -0.108
local terms energy: -71.848396
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -15.543
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: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -106.041501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.041501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.041501 (E_RNA)
where:
Base-Base interactions energy: -47.332
where: short stacking energy: -41.260
Base-Backbone interact. energy: 1.850
local terms energy: -60.558746
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -100.162112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.162112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.162112 (E_RNA)
where:
Base-Base interactions energy: -39.311
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.042
local terms energy: -60.808402
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -8.271
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -102.466160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466160 (E_RNA)
where:
Base-Base interactions energy: -46.303
where: short stacking energy: -23.141
Base-Backbone interact. energy: -0.793
local terms energy: -55.370382
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -91.229753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.229753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.229753 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -36.438
Base-Backbone interact. energy: 1.328
local terms energy: -52.941961
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -7.834
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: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -78.747575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.747575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.747575 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.075
local terms energy: -47.359044
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -214.322623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322623 (E_RNA)
where:
Base-Base interactions energy: -138.749
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.024
local terms energy: -75.549297
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -20.438
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: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -170.243941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.243941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.243941 (E_RNA)
where:
Base-Base interactions energy: -101.461
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.674
local terms energy: -68.109017
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -209.470564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.470564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.470564 (E_RNA)
where:
Base-Base interactions energy: -136.920
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.954
local terms energy: -71.596352
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.319
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -175.668646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.668646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.668646 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.044
local terms energy: -62.258298
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -11.236
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: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -170.212561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212561 (E_RNA)
where:
Base-Base interactions energy: -101.408
where: short stacking energy: -44.901
Base-Backbone interact. energy: -0.016
local terms energy: -68.789375
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -115.657689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.657689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.657689 (E_RNA)
where:
Base-Base interactions energy: -63.676
where: short stacking energy: -41.771
Base-Backbone interact. energy: -0.090
local terms energy: -51.891036
where:
bonds (distance) C4'-P energy: -3.462
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -99.721286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.721286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.721286 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.234
local terms energy: -49.984408
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -10.078
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: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.428441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428441 (E_RNA)
where:
Base-Base interactions energy: -24.708
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.142
local terms energy: -59.578546
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -5.714
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -89.788039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.788039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.788039 (E_RNA)
where:
Base-Base interactions energy: -34.249
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.043
local terms energy: -55.496486
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.998
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: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -75.767556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.767556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.767556 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -30.680
Base-Backbone interact. energy: 0.317
local terms energy: -44.667514
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -3.566
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: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -224.603761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.603761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.603761 (E_RNA)
where:
Base-Base interactions energy: -139.253
where: short stacking energy: -70.215
Base-Backbone interact. energy: -0.481
local terms energy: -84.869441
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -170.226311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.226311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.226311 (E_RNA)
where:
Base-Base interactions energy: -105.845
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.588
local terms energy: -63.793345
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -205.693869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.693869 (E_RNA)
where:
Base-Base interactions energy: -130.026
where: short stacking energy: -60.000
Base-Backbone interact. energy: 0.514
local terms energy: -76.181637
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -14.554
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -176.711585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.711585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.711585 (E_RNA)
where:
Base-Base interactions energy: -107.949
where: short stacking energy: -56.532
Base-Backbone interact. energy: -0.167
local terms energy: -68.595609
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -180.413159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.413159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.413159 (E_RNA)
where:
Base-Base interactions energy: -109.452
where: short stacking energy: -54.819
Base-Backbone interact. energy: -0.001
local terms energy: -70.960129
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.499
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: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -114.426843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.426843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.426843 (E_RNA)
where:
Base-Base interactions energy: -68.622
where: short stacking energy: -29.937
Base-Backbone interact. energy: 0.400
local terms energy: -46.205298
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -89.809736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809736 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.140
local terms energy: -50.341792
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -85.210414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.210414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.210414 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -13.732
Base-Backbone interact. energy: 1.566
local terms energy: -59.961992
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -0.920
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -75.383756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.383756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.383756 (E_RNA)
where:
Base-Base interactions energy: -26.260
where: short stacking energy: -26.260
Base-Backbone interact. energy: 0.674
local terms energy: -49.797378
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -9.624
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: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -82.086985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.086985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.086985 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -30.429
Base-Backbone interact. energy: 0.168
local terms energy: -50.281030
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -222.856711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.856711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.856711 (E_RNA)
where:
Base-Base interactions energy: -136.071
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.024
local terms energy: -86.761948
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -212.750066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.750066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.750066 (E_RNA)
where:
Base-Base interactions energy: -133.596
where: short stacking energy: -57.852
Base-Backbone interact. energy: -0.558
local terms energy: -78.596708
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -19.380
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -169.131227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.131227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.131227 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -52.830
Base-Backbone interact. energy: 0.435
local terms energy: -61.667454
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -183.286658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.286658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.286658 (E_RNA)
where:
Base-Base interactions energy: -112.321
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.133
local terms energy: -70.832120
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -154.820181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.820181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.820181 (E_RNA)
where:
Base-Base interactions energy: -90.437
where: short stacking energy: -44.291
Base-Backbone interact. energy: -0.053
local terms energy: -64.330662
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -10.993
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: 305
Temperature: 1.150000
Total energy: -98.388614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.388614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.388614 (E_RNA)
where:
Base-Base interactions energy: -50.987
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.227
local terms energy: -47.174663
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -4.679
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: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -91.319911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.319911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.319911 (E_RNA)
where:
Base-Base interactions energy: -42.431
where: short stacking energy: -22.454
Base-Backbone interact. energy: -0.463
local terms energy: -48.426484
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -86.730820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.730820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.730820 (E_RNA)
where:
Base-Base interactions energy: -31.637
where: short stacking energy: -31.637
Base-Backbone interact. energy: -0.069
local terms energy: -55.024921
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -82.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.087458 (E_RNA)
where:
Base-Base interactions energy: -28.543
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.078
local terms energy: -53.466810
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -75.451243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.451243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.451243 (E_RNA)
where:
Base-Base interactions energy: -20.843
where: short stacking energy: -17.367
Base-Backbone interact. energy: -0.087
local terms energy: -54.520986
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -218.356439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.356439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.356439 (E_RNA)
where:
Base-Base interactions energy: -141.304
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.046
local terms energy: -77.006073
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -209.596456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.596456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.596456 (E_RNA)
where:
Base-Base interactions energy: -131.863
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.047
local terms energy: -77.686621
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -20.899
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: 306
Temperature: 1.000000
Total energy: -169.453580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.453580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.453580 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -53.073
Base-Backbone interact. energy: -0.055
local terms energy: -66.354151
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -14.307
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -183.210653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.210653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.210653 (E_RNA)
where:
Base-Base interactions energy: -116.588
where: short stacking energy: -56.777
Base-Backbone interact. energy: 0.246
local terms energy: -66.868711
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -149.251286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.251286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.251286 (E_RNA)
where:
Base-Base interactions energy: -96.636
where: short stacking energy: -47.590
Base-Backbone interact. energy: 3.062
local terms energy: -55.676874
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -136.632181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.632181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.632181 (E_RNA)
where:
Base-Base interactions energy: -78.730
where: short stacking energy: -42.940
Base-Backbone interact. energy: 0.387
local terms energy: -58.289542
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -96.081256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.081256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.081256 (E_RNA)
where:
Base-Base interactions energy: -54.682
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.306
local terms energy: -41.092615
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -90.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.260866 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.707
local terms energy: -56.975847
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -83.889749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.889749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.889749 (E_RNA)
where:
Base-Base interactions energy: -30.347
where: short stacking energy: -29.349
Base-Backbone interact. energy: -0.215
local terms energy: -53.328135
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -74.901409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.901409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.901409 (E_RNA)
where:
Base-Base interactions energy: -27.426
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.549
local terms energy: -46.926013
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -0.602
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: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -216.002088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.002088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.002088 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -63.959
Base-Backbone interact. energy: -0.074
local terms energy: -71.533329
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -211.746154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746154 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.043
local terms energy: -78.208527
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -20.016
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: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -178.874606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.874606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.874606 (E_RNA)
where:
Base-Base interactions energy: -109.476
where: short stacking energy: -56.122
Base-Backbone interact. energy: -1.521
local terms energy: -67.877581
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -12.282
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: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -177.526433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.526433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.526433 (E_RNA)
where:
Base-Base interactions energy: -110.084
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.044
local terms energy: -67.398060
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -6.741
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: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -168.612348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.612348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.612348 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.152
local terms energy: -56.599746
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -90.286227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286227 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -21.324
Base-Backbone interact. energy: 0.132
local terms energy: -49.582841
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -95.914078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914078 (E_RNA)
where:
Base-Base interactions energy: -34.424
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.031
local terms energy: -61.458716
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -80.506939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506939 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.153
local terms energy: -48.345356
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.419830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.419830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.419830 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.292
local terms energy: -52.737009
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -70.756716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.756716 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.164
local terms energy: -40.670759
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -0.670
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: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -212.056875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.056875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.056875 (E_RNA)
where:
Base-Base interactions energy: -135.972
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.000
local terms energy: -76.084698
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -214.244251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.244251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.244251 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.697
local terms energy: -75.758792
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.156
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: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -187.381960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.381960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.381960 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.033
local terms energy: -65.250376
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -181.428110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.428110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.428110 (E_RNA)
where:
Base-Base interactions energy: -108.216
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.116
local terms energy: -73.096146
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -8.010
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: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -137.352014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.352014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.352014 (E_RNA)
where:
Base-Base interactions energy: -88.688
where: short stacking energy: -33.179
Base-Backbone interact. energy: -0.747
local terms energy: -47.916969
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -88.921042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.921042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.921042 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -29.185
Base-Backbone interact. energy: 0.201
local terms energy: -57.455946
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -81.069843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.069843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.069843 (E_RNA)
where:
Base-Base interactions energy: -20.297
where: short stacking energy: -17.573
Base-Backbone interact. energy: -0.200
local terms energy: -60.572894
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -87.943906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943906 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.101
local terms energy: -55.808192
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -79.541941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.541941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.541941 (E_RNA)
where:
Base-Base interactions energy: -31.016
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.220
local terms energy: -48.306129
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -74.910024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.910024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.910024 (E_RNA)
where:
Base-Base interactions energy: -20.096
where: short stacking energy: -20.096
Base-Backbone interact. energy: -0.133
local terms energy: -54.680476
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -220.677851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.677851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.677851 (E_RNA)
where:
Base-Base interactions energy: -137.604
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.024
local terms energy: -83.049755
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -216.444317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.444317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.444317 (E_RNA)
where:
Base-Base interactions energy: -134.771
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.068
local terms energy: -81.605080
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -186.494870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.494870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494870 (E_RNA)
where:
Base-Base interactions energy: -118.517
where: short stacking energy: -52.187
Base-Backbone interact. energy: -1.354
local terms energy: -66.624503
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -178.690894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.690894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.690894 (E_RNA)
where:
Base-Base interactions energy: -108.093
where: short stacking energy: -48.914
Base-Backbone interact. energy: -0.022
local terms energy: -70.575959
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -14.691
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: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -153.844246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.844246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.844246 (E_RNA)
where:
Base-Base interactions energy: -90.655
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.166
local terms energy: -63.022927
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -102.593850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.593850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.593850 (E_RNA)
where:
Base-Base interactions energy: -48.825
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.067
local terms energy: -53.701522
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -91.285491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285491 (E_RNA)
where:
Base-Base interactions energy: -38.542
where: short stacking energy: -38.542
Base-Backbone interact. energy: -0.080
local terms energy: -52.662735
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -91.583314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.583314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.583314 (E_RNA)
where:
Base-Base interactions energy: -26.904
where: short stacking energy: -25.704
Base-Backbone interact. energy: -0.167
local terms energy: -64.512503
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -72.464946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464946 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.056
local terms energy: -45.287978
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -83.349517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349517 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.312
local terms energy: -51.439347
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.089
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: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -221.617697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617697 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.336
local terms energy: -78.671805
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -24.304
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -213.864394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.864394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.864394 (E_RNA)
where:
Base-Base interactions energy: -133.363
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.033
local terms energy: -80.467951
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.556
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: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -187.924297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.924297 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.020
local terms energy: -69.543959
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -7.722
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: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -192.492140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.492140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.492140 (E_RNA)
where:
Base-Base interactions energy: -122.470
where: short stacking energy: -48.903
Base-Backbone interact. energy: -0.179
local terms energy: -69.842925
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.167
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: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -135.296990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.296990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.296990 (E_RNA)
where:
Base-Base interactions energy: -80.106
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.643
local terms energy: -54.547642
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -96.686118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.686118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.686118 (E_RNA)
where:
Base-Base interactions energy: -49.871
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.151
local terms energy: -46.663486
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -95.503194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503194 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -39.512
Base-Backbone interact. energy: -0.659
local terms energy: -55.332092
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -11.370
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: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -79.412319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.412319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.412319 (E_RNA)
where:
Base-Base interactions energy: -24.162
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.088
local terms energy: -55.161601
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -4.813
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: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -81.008321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.008321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.008321 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -25.536
Base-Backbone interact. energy: -0.260
local terms energy: -52.966471
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -4.923
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: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -74.395857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.395857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.395857 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.014
local terms energy: -46.790452
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -6.726
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: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -216.294636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.294636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.294636 (E_RNA)
where:
Base-Base interactions energy: -139.129
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.075
local terms energy: -77.090665
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -10.700
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: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -210.287911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.287911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.287911 (E_RNA)
where:
Base-Base interactions energy: -134.130
where: short stacking energy: -57.976
Base-Backbone interact. energy: -0.157
local terms energy: -76.000954
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -8.685
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: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -183.324740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.324740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.324740 (E_RNA)
where:
Base-Base interactions energy: -108.007
where: short stacking energy: -49.352
Base-Backbone interact. energy: -0.096
local terms energy: -75.221662
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.411
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: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -149.554284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.554284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.554284 (E_RNA)
where:
Base-Base interactions energy: -84.135
where: short stacking energy: -48.305
Base-Backbone interact. energy: 0.269
local terms energy: -65.688495
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -10.029
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: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -153.504926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.504926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.504926 (E_RNA)
where:
Base-Base interactions energy: -89.986
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.265
local terms energy: -63.253525
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -7.237
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: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -132.221873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.221873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.221873 (E_RNA)
where:
Base-Base interactions energy: -70.554
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.080
local terms energy: -61.587968
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -9.875
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: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -97.304613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304613 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -40.091
Base-Backbone interact. energy: -0.085
local terms energy: -56.986998
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -14.063
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: 311
Temperature: 1.250000
Total energy: -87.293774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.293774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.293774 (E_RNA)
where:
Base-Base interactions energy: -31.088
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.136
local terms energy: -56.069870
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -4.727
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: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -82.582914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582914 (E_RNA)
where:
Base-Base interactions energy: -38.912
where: short stacking energy: -23.108
Base-Backbone interact. energy: -0.285
local terms energy: -43.386223
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -73.088616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.088616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.088616 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -29.070
Base-Backbone interact. energy: 0.043
local terms energy: -43.104083
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -219.876802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.876802 (E_RNA)
where:
Base-Base interactions energy: -142.348
where: short stacking energy: -67.507
Base-Backbone interact. energy: -0.012
local terms energy: -77.516240
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -23.609
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: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -209.381339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.381339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.381339 (E_RNA)
where:
Base-Base interactions energy: -135.985
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.026
local terms energy: -73.370417
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -180.054097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.054097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.054097 (E_RNA)
where:
Base-Base interactions energy: -114.517
where: short stacking energy: -61.801
Base-Backbone interact. energy: -0.091
local terms energy: -65.446628
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -8.771
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: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -142.702475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.702475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.702475 (E_RNA)
where:
Base-Base interactions energy: -86.361
where: short stacking energy: -39.990
Base-Backbone interact. energy: -0.180
local terms energy: -56.161837
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -7.435
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: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -151.594193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.594193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.594193 (E_RNA)
where:
Base-Base interactions energy: -92.854
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.093
local terms energy: -58.646782
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -145.896582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.896582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.896582 (E_RNA)
where:
Base-Base interactions energy: -81.429
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.142
local terms energy: -64.325419
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -91.661846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.661846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.661846 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.013
local terms energy: -60.933752
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -7.093
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: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -80.572047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.572047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.572047 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.846
local terms energy: -42.155714
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -86.398968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.398968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.398968 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -27.173
Base-Backbone interact. energy: 2.561
local terms energy: -50.934767
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -73.445768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.445768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.445768 (E_RNA)
where:
Base-Base interactions energy: -26.950
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.168
local terms energy: -46.328036
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.741
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: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -216.342608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342608 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.332
local terms energy: -76.593929
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -189.460553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.460553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.460553 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.062
local terms energy: -73.482768
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -217.176173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.176173 (E_RNA)
where:
Base-Base interactions energy: -137.245
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.337
local terms energy: -79.594633
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -170.830417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.830417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.830417 (E_RNA)
where:
Base-Base interactions energy: -105.134
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.065
local terms energy: -65.632130
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -139.300020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.300020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.300020 (E_RNA)
where:
Base-Base interactions energy: -71.380
where: short stacking energy: -29.765
Base-Backbone interact. energy: -1.186
local terms energy: -66.734065
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -10.029
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: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -96.259919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.259919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.259919 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -33.509
Base-Backbone interact. energy: 0.268
local terms energy: -58.632985
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -6.566
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: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -151.550422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.550422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.550422 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.082
local terms energy: -57.554498
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -83.150386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150386 (E_RNA)
where:
Base-Base interactions energy: -29.706
where: short stacking energy: -26.228
Base-Backbone interact. energy: -1.406
local terms energy: -52.038157
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -78.506887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.506887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.506887 (E_RNA)
where:
Base-Base interactions energy: -24.604
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.226
local terms energy: -53.677548
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -69.919590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.919590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.919590 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.069
local terms energy: -34.428582
where:
bonds (distance) C4'-P energy: -7.864
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -2.995
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -223.418829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.418829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.418829 (E_RNA)
where:
Base-Base interactions energy: -141.330
where: short stacking energy: -66.537
Base-Backbone interact. energy: -0.209
local terms energy: -81.879440
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -186.532223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.532223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.532223 (E_RNA)
where:
Base-Base interactions energy: -111.849
where: short stacking energy: -52.118
Base-Backbone interact. energy: -1.101
local terms energy: -73.582194
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.814
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: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -202.999224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999224 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -62.798
Base-Backbone interact. energy: 1.815
local terms energy: -77.846888
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -21.128
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: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -167.488523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.488523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.488523 (E_RNA)
where:
Base-Base interactions energy: -98.233
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.390
local terms energy: -68.865986
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -15.521
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: 314
Temperature: 1.100000
Total energy: -141.200058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.200058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.200058 (E_RNA)
where:
Base-Base interactions energy: -76.177
where: short stacking energy: -49.823
Base-Backbone interact. energy: -0.277
local terms energy: -64.746107
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -154.982405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.982405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.982405 (E_RNA)
where:
Base-Base interactions energy: -99.405
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.351
local terms energy: -55.225800
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -126.207867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.207867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.207867 (E_RNA)
where:
Base-Base interactions energy: -73.258
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.022
local terms energy: -52.927426
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -80.412887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.412887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.412887 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.248
local terms energy: -52.336027
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -83.240030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240030 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -30.171
Base-Backbone interact. energy: 0.088
local terms energy: -48.843783
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -0.219
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: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -86.410715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410715 (E_RNA)
where:
Base-Base interactions energy: -31.155
where: short stacking energy: -23.286
Base-Backbone interact. energy: -0.149
local terms energy: -55.106249
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -205.697461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697461 (E_RNA)
where:
Base-Base interactions energy: -126.389
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.057
local terms energy: -79.251054
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -21.845
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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -199.798082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.798082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.798082 (E_RNA)
where:
Base-Base interactions energy: -127.945
where: short stacking energy: -53.866
Base-Backbone interact. energy: -0.118
local terms energy: -71.734842
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.781
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: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -179.643110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.643110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.643110 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.445
local terms energy: -67.030715
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -11.589
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: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -185.854645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.854645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.854645 (E_RNA)
where:
Base-Base interactions energy: -122.982
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.496
local terms energy: -62.376581
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -8.256
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: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -127.538931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.538931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.538931 (E_RNA)
where:
Base-Base interactions energy: -68.695
where: short stacking energy: -41.628
Base-Backbone interact. energy: -0.117
local terms energy: -58.727330
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -140.255485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.255485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.255485 (E_RNA)
where:
Base-Base interactions energy: -80.338
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.299
local terms energy: -59.618065
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -12.056
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: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -134.631170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.631170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.631170 (E_RNA)
where:
Base-Base interactions energy: -84.962
where: short stacking energy: -37.194
Base-Backbone interact. energy: -0.013
local terms energy: -49.655999
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -85.125916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125916 (E_RNA)
where:
Base-Base interactions energy: -30.220
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.188
local terms energy: -54.718595
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -87.829363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.829363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.829363 (E_RNA)
where:
Base-Base interactions energy: -32.338
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.022
local terms energy: -55.469468
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -67.211485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.211485 (E_RNA)
where:
Base-Base interactions energy: -27.145
where: short stacking energy: -22.975
Base-Backbone interact. energy: -0.356
local terms energy: -39.710464
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -208.752773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.752773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.752773 (E_RNA)
where:
Base-Base interactions energy: -133.242
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.001
local terms energy: -75.510165
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -200.338757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.338757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.338757 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.674
local terms energy: -71.395383
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -203.202420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.202420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.202420 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -56.733
Base-Backbone interact. energy: 1.093
local terms energy: -73.287694
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -171.324985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.324985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.324985 (E_RNA)
where:
Base-Base interactions energy: -99.735
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.672
local terms energy: -70.917655
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.071
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -119.057824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.057824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.057824 (E_RNA)
where:
Base-Base interactions energy: -62.635
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.207
local terms energy: -56.215422
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -123.880821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.880821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.880821 (E_RNA)
where:
Base-Base interactions energy: -58.728
where: short stacking energy: -36.225
Base-Backbone interact. energy: -0.007
local terms energy: -65.145829
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -12.296
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: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -128.363154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.363154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.363154 (E_RNA)
where:
Base-Base interactions energy: -78.786
where: short stacking energy: -35.783
Base-Backbone interact. energy: -1.484
local terms energy: -48.093418
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -81.684542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.684542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.684542 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.174
local terms energy: -55.591756
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -9.961
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.393155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393155 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -30.127
Base-Backbone interact. energy: -0.121
local terms energy: -51.325893
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -70.799026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.799026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.799026 (E_RNA)
where:
Base-Base interactions energy: -22.558
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.008
local terms energy: -48.232277
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -204.605478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605478 (E_RNA)
where:
Base-Base interactions energy: -131.333
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.043
local terms energy: -73.230072
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -6.437
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: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -188.363647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.363647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.363647 (E_RNA)
where:
Base-Base interactions energy: -116.475
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.088
local terms energy: -71.800729
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -17.912
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: 317
Temperature: 1.000000
Total energy: -197.681513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.681513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.681513 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -59.135
Base-Backbone interact. energy: -0.037
local terms energy: -75.410143
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -185.700959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.700959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700959 (E_RNA)
where:
Base-Base interactions energy: -114.514
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.055
local terms energy: -71.132317
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -106.531523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.531523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.531523 (E_RNA)
where:
Base-Base interactions energy: -53.091
where: short stacking energy: -42.917
Base-Backbone interact. energy: 0.454
local terms energy: -53.895188
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -131.552128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.552128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.552128 (E_RNA)
where:
Base-Base interactions energy: -74.650
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.031
local terms energy: -56.871349
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -7.734
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: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -123.567388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.567388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.567388 (E_RNA)
where:
Base-Base interactions energy: -61.187
where: short stacking energy: -42.800
Base-Backbone interact. energy: -0.216
local terms energy: -62.164397
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -8.539
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: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -76.550819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550819 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -17.620
Base-Backbone interact. energy: -0.249
local terms energy: -43.567792
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -78.144159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.144159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.144159 (E_RNA)
where:
Base-Base interactions energy: -23.180
where: short stacking energy: -22.656
Base-Backbone interact. energy: -0.168
local terms energy: -54.796177
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -76.874641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.874641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.874641 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.042
local terms energy: -45.032004
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -198.486452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.486452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.486452 (E_RNA)
where:
Base-Base interactions energy: -126.304
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.207
local terms energy: -71.975812
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -17.290
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -185.742699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.742699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.742699 (E_RNA)
where:
Base-Base interactions energy: -117.130
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.292
local terms energy: -68.321351
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -188.569908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.569908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569908 (E_RNA)
where:
Base-Base interactions energy: -117.438
where: short stacking energy: -48.166
Base-Backbone interact. energy: -0.139
local terms energy: -70.993110
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -169.072697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.072697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.072697 (E_RNA)
where:
Base-Base interactions energy: -103.420
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.138
local terms energy: -65.515019
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -139.582189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.582189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.582189 (E_RNA)
where:
Base-Base interactions energy: -84.754
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.109
local terms energy: -54.719981
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -85.724652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724652 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -29.229
Base-Backbone interact. energy: -0.109
local terms energy: -48.040576
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -103.412007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.412007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.412007 (E_RNA)
where:
Base-Base interactions energy: -62.184
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.092
local terms energy: -41.136646
where:
bonds (distance) C4'-P energy: -7.355
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -82.607454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607454 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -30.108
Base-Backbone interact. energy: -0.078
local terms energy: -52.420829
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -74.359232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.359232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.359232 (E_RNA)
where:
Base-Base interactions energy: -22.387
where: short stacking energy: -20.115
Base-Backbone interact. energy: -0.093
local terms energy: -51.879055
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -75.957526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957526 (E_RNA)
where:
Base-Base interactions energy: -25.293
where: short stacking energy: -20.908
Base-Backbone interact. energy: -0.239
local terms energy: -50.425813
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -195.699505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.699505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.699505 (E_RNA)
where:
Base-Base interactions energy: -118.535
where: short stacking energy: -65.119
Base-Backbone interact. energy: 0.239
local terms energy: -77.402868
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -220.588408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.588408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.588408 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -63.901
Base-Backbone interact. energy: -0.027
local terms energy: -84.057246
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -168.651566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.651566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.651566 (E_RNA)
where:
Base-Base interactions energy: -100.246
where: short stacking energy: -47.967
Base-Backbone interact. energy: -0.009
local terms energy: -68.396597
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.478
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -178.707680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.707680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.707680 (E_RNA)
where:
Base-Base interactions energy: -111.411
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.001
local terms energy: -67.295599
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -156.660726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.660726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.660726 (E_RNA)
where:
Base-Base interactions energy: -93.862
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.076
local terms energy: -62.723464
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.874
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: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -90.971155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.971155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.971155 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.420
local terms energy: -50.065543
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -95.059532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.059532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.059532 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -38.949
Base-Backbone interact. energy: -0.153
local terms energy: -52.082496
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -9.167
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -91.147776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147776 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -33.905
Base-Backbone interact. energy: -0.030
local terms energy: -57.212945
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -73.533454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.533454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.533454 (E_RNA)
where:
Base-Base interactions energy: -22.298
where: short stacking energy: -12.713
Base-Backbone interact. energy: -1.612
local terms energy: -49.623350
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -74.025134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.025134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.025134 (E_RNA)
where:
Base-Base interactions energy: -21.752
where: short stacking energy: -16.920
Base-Backbone interact. energy: -0.127
local terms energy: -52.146188
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -219.595481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.595481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.595481 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -70.076
Base-Backbone interact. energy: -0.074
local terms energy: -76.620915
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -201.310954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.310954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.310954 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -52.136
Base-Backbone interact. energy: -0.078
local terms energy: -74.983771
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -187.455996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.455996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.455996 (E_RNA)
where:
Base-Base interactions energy: -112.991
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.003
local terms energy: -74.462126
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -173.415979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.415979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415979 (E_RNA)
where:
Base-Base interactions energy: -104.535
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.165
local terms energy: -68.716595
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -13.863
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: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -88.047051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047051 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -34.077
Base-Backbone interact. energy: 0.523
local terms energy: -49.678806
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -145.095263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.095263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.095263 (E_RNA)
where:
Base-Base interactions energy: -85.040
where: short stacking energy: -46.967
Base-Backbone interact. energy: -0.071
local terms energy: -59.984428
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -9.055
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -96.197206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.197206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.197206 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -27.583
Base-Backbone interact. energy: -0.016
local terms energy: -62.625700
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -93.193822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.193822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.193822 (E_RNA)
where:
Base-Base interactions energy: -46.043
where: short stacking energy: -19.853
Base-Backbone interact. energy: 0.437
local terms energy: -47.587406
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -89.251218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.251218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.251218 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -22.266
Base-Backbone interact. energy: -0.010
local terms energy: -52.982816
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -71.735315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.735315 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -22.184
Base-Backbone interact. energy: -0.259
local terms energy: -41.584816
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -215.914344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914344 (E_RNA)
where:
Base-Base interactions energy: -138.067
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.062
local terms energy: -77.785943
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -198.241337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.241337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.241337 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -65.125
Base-Backbone interact. energy: -0.023
local terms energy: -71.866800
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -6.122
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: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -200.098744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.098744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.098744 (E_RNA)
where:
Base-Base interactions energy: -131.006
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.029
local terms energy: -69.064484
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -19.199
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: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -167.494164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.494164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.494164 (E_RNA)
where:
Base-Base interactions energy: -108.103
where: short stacking energy: -47.221
Base-Backbone interact. energy: 2.026
local terms energy: -61.417538
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -8.828
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -10.919
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: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -95.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.228884 (E_RNA)
where:
Base-Base interactions energy: -38.980
where: short stacking energy: -39.480
Base-Backbone interact. energy: -0.003
local terms energy: -56.245875
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -131.053449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.053449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.053449 (E_RNA)
where:
Base-Base interactions energy: -70.105
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.080
local terms energy: -60.868413
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -9.259
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -90.285516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.285516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.285516 (E_RNA)
where:
Base-Base interactions energy: -33.120
where: short stacking energy: -33.120
Base-Backbone interact. energy: 0.126
local terms energy: -57.291113
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -79.779511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779511 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.345
local terms energy: -50.055831
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -5.345
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: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.828474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.828474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.828474 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.332
local terms energy: -48.917354
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -81.276946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.276946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.276946 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.047
local terms energy: -50.183588
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -8.237
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -212.434324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.434324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.434324 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.059
local terms energy: -79.324502
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.967
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: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -199.783549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.783549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.783549 (E_RNA)
where:
Base-Base interactions energy: -122.661
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.169
local terms energy: -76.953514
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -187.945144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945144 (E_RNA)
where:
Base-Base interactions energy: -122.813
where: short stacking energy: -50.224
Base-Backbone interact. energy: -1.063
local terms energy: -64.069186
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -6.458
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: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -164.737392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.737392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.737392 (E_RNA)
where:
Base-Base interactions energy: -99.347
where: short stacking energy: -50.774
Base-Backbone interact. energy: -0.008
local terms energy: -65.382193
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -15.613
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: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -160.769858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.769858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.769858 (E_RNA)
where:
Base-Base interactions energy: -95.905
where: short stacking energy: -48.751
Base-Backbone interact. energy: -0.103
local terms energy: -64.760959
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -5.495
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: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -108.455007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.455007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.455007 (E_RNA)
where:
Base-Base interactions energy: -47.932
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.091
local terms energy: -60.431814
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -6.602
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: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -72.644528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.644528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.644528 (E_RNA)
where:
Base-Base interactions energy: -21.601
where: short stacking energy: -19.707
Base-Backbone interact. energy: -0.270
local terms energy: -50.773213
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -80.090294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090294 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.013
local terms energy: -48.540825
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -78.501075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.501075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.501075 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.211
local terms energy: -41.357671
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -75.968117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.968117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.968117 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -19.447
Base-Backbone interact. energy: 0.469
local terms energy: -42.806733
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -221.492216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.492216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.492216 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.458
local terms energy: -82.356206
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -197.334032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334032 (E_RNA)
where:
Base-Base interactions energy: -122.488
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.022
local terms energy: -74.823692
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -11.751
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -194.826192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.826192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.826192 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -55.203
Base-Backbone interact. energy: -0.009
local terms energy: -73.055894
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -164.703933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.703933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.703933 (E_RNA)
where:
Base-Base interactions energy: -99.946
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.165
local terms energy: -64.593136
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -8.145
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -174.291379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.291379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.291379 (E_RNA)
where:
Base-Base interactions energy: -100.921
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.160
local terms energy: -73.209790
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -12.886
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: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -87.151263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.151263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.151263 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -37.521
Base-Backbone interact. energy: -0.159
local terms energy: -43.807203
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -96.439043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439043 (E_RNA)
where:
Base-Base interactions energy: -40.124
where: short stacking energy: -28.493
Base-Backbone interact. energy: -0.408
local terms energy: -55.907578
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -112.577090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.577090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.577090 (E_RNA)
where:
Base-Base interactions energy: -62.376
where: short stacking energy: -25.730
Base-Backbone interact. energy: 0.684
local terms energy: -50.885580
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -81.735466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.735466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.735466 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -23.314
Base-Backbone interact. energy: -0.922
local terms energy: -52.291090
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -7.827
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: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -70.613210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.613210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.613210 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -30.310
Base-Backbone interact. energy: 0.115
local terms energy: -36.164559
where:
bonds (distance) C4'-P energy: -6.208
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -220.985399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.985399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.985399 (E_RNA)
where:
Base-Base interactions energy: -144.815
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.865
local terms energy: -75.305223
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -23.591
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: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -189.238604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.238604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.238604 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.006
local terms energy: -66.099155
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.544
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: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -200.107506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.107506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.107506 (E_RNA)
where:
Base-Base interactions energy: -128.221
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.281
local terms energy: -71.605075
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -167.689251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.689251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.689251 (E_RNA)
where:
Base-Base interactions energy: -100.185
where: short stacking energy: -58.871
Base-Backbone interact. energy: -0.047
local terms energy: -67.457485
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -15.666
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -152.455509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.455509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.455509 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -39.559
Base-Backbone interact. energy: 0.569
local terms energy: -54.968341
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -91.271320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.271320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.271320 (E_RNA)
where:
Base-Base interactions energy: -35.779
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.973
local terms energy: -54.518809
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -9.642
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -83.134003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.134003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.134003 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -26.794
Base-Backbone interact. energy: -0.270
local terms energy: -51.840673
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -95.000254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.000254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.000254 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -28.984
Base-Backbone interact. energy: 0.642
local terms energy: -51.197640
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -73.156160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.156160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.156160 (E_RNA)
where:
Base-Base interactions energy: -23.364
where: short stacking energy: -19.212
Base-Backbone interact. energy: -0.432
local terms energy: -49.360135
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -82.811105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.811105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.811105 (E_RNA)
where:
Base-Base interactions energy: -26.098
where: short stacking energy: -26.028
Base-Backbone interact. energy: 0.048
local terms energy: -56.761681
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.289
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: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -214.409687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.409687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.409687 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.005
local terms energy: -81.105605
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -22.946
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: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -203.586863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.586863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.586863 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.560
local terms energy: -69.385856
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.868
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: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -195.337899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.337899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.337899 (E_RNA)
where:
Base-Base interactions energy: -126.947
where: short stacking energy: -64.486
Base-Backbone interact. energy: 1.480
local terms energy: -69.871009
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -170.038704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.038704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.038704 (E_RNA)
where:
Base-Base interactions energy: -112.201
where: short stacking energy: -63.805
Base-Backbone interact. energy: -0.029
local terms energy: -57.808855
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -147.067936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.067936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.067936 (E_RNA)
where:
Base-Base interactions energy: -78.301
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.142
local terms energy: -68.624773
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -102.587006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.587006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.587006 (E_RNA)
where:
Base-Base interactions energy: -46.137
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.041
local terms energy: -56.409940
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -95.624349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.624349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.624349 (E_RNA)
where:
Base-Base interactions energy: -47.662
where: short stacking energy: -34.128
Base-Backbone interact. energy: 4.560
local terms energy: -52.522252
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -80.567748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.567748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.567748 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.135
local terms energy: -46.016994
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -73.072553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.072553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.072553 (E_RNA)
where:
Base-Base interactions energy: -21.713
where: short stacking energy: -17.867
Base-Backbone interact. energy: -1.123
local terms energy: -50.237131
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -12.474
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: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -71.031693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.031693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.031693 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -16.404
Base-Backbone interact. energy: -0.501
local terms energy: -44.258643
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -221.286371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.286371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.286371 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -70.597
Base-Backbone interact. energy: -0.008
local terms energy: -78.974152
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -22.403
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: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -179.956540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956540 (E_RNA)
where:
Base-Base interactions energy: -105.299
where: short stacking energy: -50.791
Base-Backbone interact. energy: -0.034
local terms energy: -74.623486
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -195.682877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.682877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.682877 (E_RNA)
where:
Base-Base interactions energy: -119.706
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.005
local terms energy: -75.972260
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -199.593281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.593281 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -57.904
Base-Backbone interact. energy: -0.350
local terms energy: -72.993016
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -11.326
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: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -159.961637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.961637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.961637 (E_RNA)
where:
Base-Base interactions energy: -95.399
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.221
local terms energy: -64.341876
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -103.228170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.228170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.228170 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.049
local terms energy: -59.265881
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -85.158409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158409 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -37.682
Base-Backbone interact. energy: -0.416
local terms energy: -43.414921
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -83.449385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.449385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.449385 (E_RNA)
where:
Base-Base interactions energy: -30.478
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.081
local terms energy: -52.890003
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -86.691873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.691873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.691873 (E_RNA)
where:
Base-Base interactions energy: -41.801
where: short stacking energy: -23.878
Base-Backbone interact. energy: -0.289
local terms energy: -44.602077
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -1.649
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -76.663260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663260 (E_RNA)
where:
Base-Base interactions energy: -26.504
where: short stacking energy: -18.115
Base-Backbone interact. energy: -0.488
local terms energy: -49.671352
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -215.808023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808023 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -63.792
Base-Backbone interact. energy: 0.011
local terms energy: -78.764998
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -196.378062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.378062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.378062 (E_RNA)
where:
Base-Base interactions energy: -122.500
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.144
local terms energy: -73.734326
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -19.041
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: 327
Temperature: 1.000000
Total energy: -173.432932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.432932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.432932 (E_RNA)
where:
Base-Base interactions energy: -103.365
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.754
local terms energy: -69.313312
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -205.479781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.479781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.479781 (E_RNA)
where:
Base-Base interactions energy: -133.737
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.212
local terms energy: -71.531290
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -21.450
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: 327
Temperature: 1.100000
Total energy: -150.361595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.361595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.361595 (E_RNA)
where:
Base-Base interactions energy: -93.282
where: short stacking energy: -49.005
Base-Backbone interact. energy: -0.073
local terms energy: -57.006724
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -88.077791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077791 (E_RNA)
where:
Base-Base interactions energy: -36.738
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.224
local terms energy: -51.115311
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -85.975497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.975497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.975497 (E_RNA)
where:
Base-Base interactions energy: -40.133
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.848
local terms energy: -44.994507
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -97.838257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.838257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.838257 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.265
local terms energy: -53.518145
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -84.356415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356415 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -26.992
Base-Backbone interact. energy: 1.602
local terms energy: -54.351840
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -73.573541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.573541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.573541 (E_RNA)
where:
Base-Base interactions energy: -21.519
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.117
local terms energy: -51.937850
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -214.701754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.701754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.701754 (E_RNA)
where:
Base-Base interactions energy: -135.430
where: short stacking energy: -66.707
Base-Backbone interact. energy: -2.055
local terms energy: -77.216853
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -22.142
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: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -203.036500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.036500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036500 (E_RNA)
where:
Base-Base interactions energy: -129.806
where: short stacking energy: -65.692
Base-Backbone interact. energy: -0.001
local terms energy: -73.229649
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -6.221
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: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -202.645748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645748 (E_RNA)
where:
Base-Base interactions energy: -126.888
where: short stacking energy: -58.321
Base-Backbone interact. energy: -1.471
local terms energy: -74.287382
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -169.899452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.899452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899452 (E_RNA)
where:
Base-Base interactions energy: -101.604
where: short stacking energy: -46.364
Base-Backbone interact. energy: -0.100
local terms energy: -68.195844
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -163.084291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084291 (E_RNA)
where:
Base-Base interactions energy: -100.551
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.404
local terms energy: -62.128383
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -96.965060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.965060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.965060 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -21.419
Base-Backbone interact. energy: -0.324
local terms energy: -50.478474
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: 4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -97.274889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.274889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.274889 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -38.419
Base-Backbone interact. energy: -0.025
local terms energy: -56.941253
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -7.922
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: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -89.475793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.475793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.475793 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.260
local terms energy: -51.302069
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -6.053
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -72.510965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.510965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.510965 (E_RNA)
where:
Base-Base interactions energy: -19.325
where: short stacking energy: -19.325
Base-Backbone interact. energy: 0.752
local terms energy: -53.937723
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -88.793111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.793111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.793111 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.226
local terms energy: -50.634564
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -223.093333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093333 (E_RNA)
where:
Base-Base interactions energy: -143.539
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.043
local terms energy: -79.510951
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -22.881
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -202.734098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.734098 (E_RNA)
where:
Base-Base interactions energy: -135.649
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.029
local terms energy: -67.056918
where:
bonds (distance) C4'-P energy: -8.367
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.251
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: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -199.486648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.486648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.486648 (E_RNA)
where:
Base-Base interactions energy: -120.940
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.001
local terms energy: -78.545158
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -192.069151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.069151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.069151 (E_RNA)
where:
Base-Base interactions energy: -123.618
where: short stacking energy: -41.022
Base-Backbone interact. energy: -0.016
local terms energy: -68.434182
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -151.044088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.044088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044088 (E_RNA)
where:
Base-Base interactions energy: -88.799
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.221
local terms energy: -62.024244
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -94.504529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.504529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.504529 (E_RNA)
where:
Base-Base interactions energy: -36.437
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.327
local terms energy: -57.740561
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -6.168
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -86.066627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066627 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -35.522
Base-Backbone interact. energy: -0.214
local terms energy: -48.477933
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -84.885933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885933 (E_RNA)
where:
Base-Base interactions energy: -31.304
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.115
local terms energy: -53.466821
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -74.919577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.919577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.919577 (E_RNA)
where:
Base-Base interactions energy: -23.209
where: short stacking energy: -23.209
Base-Backbone interact. energy: -0.233
local terms energy: -51.477745
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -81.548605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548605 (E_RNA)
where:
Base-Base interactions energy: -25.039
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.827
local terms energy: -55.682574
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -13.865
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: 330
Temperature: 0.900000
Total energy: -212.212063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.212063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.212063 (E_RNA)
where:
Base-Base interactions energy: -133.053
where: short stacking energy: -66.235
Base-Backbone interact. energy: -0.013
local terms energy: -79.145468
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -206.185776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.185776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.185776 (E_RNA)
where:
Base-Base interactions energy: -137.075
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.498
local terms energy: -68.612611
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -10.943
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: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -195.798062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.798062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.798062 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -48.022
Base-Backbone interact. energy: -0.082
local terms energy: -71.774210
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -18.295
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -181.401436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401436 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.001
local terms energy: -65.249968
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -165.504842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.504842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.504842 (E_RNA)
where:
Base-Base interactions energy: -107.113
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.056
local terms energy: -58.336464
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -14.466
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -88.037101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037101 (E_RNA)
where:
Base-Base interactions energy: -40.531
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.071
local terms energy: -47.435362
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -90.777078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.777078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.777078 (E_RNA)
where:
Base-Base interactions energy: -33.168
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.099
local terms energy: -57.510139
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -9.670
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: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -84.210491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.210491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.210491 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -15.172
Base-Backbone interact. energy: -0.146
local terms energy: -48.207996
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -77.682300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.682300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.682300 (E_RNA)
where:
Base-Base interactions energy: -32.758
where: short stacking energy: -19.133
Base-Backbone interact. energy: -0.346
local terms energy: -44.578419
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: 0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.013907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.013907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.013907 (E_RNA)
where:
Base-Base interactions energy: -25.449
where: short stacking energy: -23.854
Base-Backbone interact. energy: 1.191
local terms energy: -56.756466
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -218.598208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.598208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.598208 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.006
local terms energy: -85.503461
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -21.217
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: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -214.525331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.525331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.525331 (E_RNA)
where:
Base-Base interactions energy: -135.846
where: short stacking energy: -62.397
Base-Backbone interact. energy: -0.069
local terms energy: -78.609768
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.158
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -178.183490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183490 (E_RNA)
where:
Base-Base interactions energy: -117.067
where: short stacking energy: -58.438
Base-Backbone interact. energy: -0.003
local terms energy: -61.113571
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -6.616
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: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -184.467991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.467991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.467991 (E_RNA)
where:
Base-Base interactions energy: -119.902
where: short stacking energy: -48.996
Base-Backbone interact. energy: -0.028
local terms energy: -64.537892
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -174.672969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.672969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.672969 (E_RNA)
where:
Base-Base interactions energy: -113.220
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.067
local terms energy: -61.386624
where:
bonds (distance) C4'-P energy: -4.016
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -14.292
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -90.654734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654734 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.088
local terms energy: -51.664332
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -6.157
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: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -85.884600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884600 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.146
local terms energy: -51.685981
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -85.062016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062016 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -37.019
Base-Backbone interact. energy: -0.000
local terms energy: -47.350233
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -5.259
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: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -74.089804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.089804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.089804 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -20.696
Base-Backbone interact. energy: 0.095
local terms energy: -45.731923
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -73.612902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612902 (E_RNA)
where:
Base-Base interactions energy: -23.453
where: short stacking energy: -22.949
Base-Backbone interact. energy: 1.640
local terms energy: -51.800773
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -213.854376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.854376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.854376 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.053
local terms energy: -77.475125
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -10.873
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: 332
Temperature: 0.950000
Total energy: -216.317106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317106 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -69.970
Base-Backbone interact. energy: 1.432
local terms energy: -79.695483
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.448
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: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -185.426256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.426256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.426256 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.129
local terms energy: -65.351839
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.049
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -195.124343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.124343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.124343 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -51.959
Base-Backbone interact. energy: -1.489
local terms energy: -69.642572
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -176.999961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.999961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.999961 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.790
local terms energy: -64.120961
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -87.402991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.402991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.402991 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.150
local terms energy: -57.601395
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.257
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: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -92.839496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.839496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.839496 (E_RNA)
where:
Base-Base interactions energy: -47.562
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.060
local terms energy: -45.218161
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -81.398039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398039 (E_RNA)
where:
Base-Base interactions energy: -21.010
where: short stacking energy: -21.010
Base-Backbone interact. energy: 1.193
local terms energy: -61.580612
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -77.858908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.858908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.858908 (E_RNA)
where:
Base-Base interactions energy: -24.874
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.791
local terms energy: -52.193837
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -74.167441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.167441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.167441 (E_RNA)
where:
Base-Base interactions energy: -27.421
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.129
local terms energy: -46.617218
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -220.549476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.549476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.549476 (E_RNA)
where:
Base-Base interactions energy: -141.339
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.136
local terms energy: -79.074718
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -219.757119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.757119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.757119 (E_RNA)
where:
Base-Base interactions energy: -140.215
where: short stacking energy: -66.373
Base-Backbone interact. energy: -0.024
local terms energy: -79.518419
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -23.166
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: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -180.718739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.718739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.718739 (E_RNA)
where:
Base-Base interactions energy: -117.083
where: short stacking energy: -58.480
Base-Backbone interact. energy: 1.570
local terms energy: -65.205170
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -190.405103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.405103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.405103 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.594
local terms energy: -61.953079
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -145.037207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.037207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.037207 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -44.553
Base-Backbone interact. energy: -0.104
local terms energy: -55.670780
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -96.215944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.215944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.215944 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -37.928
Base-Backbone interact. energy: -0.032
local terms energy: -58.256307
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -6.909
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -96.460843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.460843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.460843 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -45.158
Base-Backbone interact. energy: 0.212
local terms energy: -51.514502
where:
bonds (distance) C4'-P energy: -6.840
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.577449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.577449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.577449 (E_RNA)
where:
Base-Base interactions energy: -42.250
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.198
local terms energy: -44.130113
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: 1.880
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: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -68.238181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.238181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.238181 (E_RNA)
where:
Base-Base interactions energy: -21.601
where: short stacking energy: -12.575
Base-Backbone interact. energy: -0.542
local terms energy: -46.095748
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: 8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -80.405124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.405124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.405124 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -19.513
Base-Backbone interact. energy: -0.044
local terms energy: -45.881445
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -2.032
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: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -222.165140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.165140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.165140 (E_RNA)
where:
Base-Base interactions energy: -140.145
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.590
local terms energy: -81.430426
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -216.183024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.183024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.183024 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.061
local terms energy: -77.605405
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -14.342
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: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -189.218508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218508 (E_RNA)
where:
Base-Base interactions energy: -112.134
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.189
local terms energy: -76.895777
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -185.186694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.186694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.186694 (E_RNA)
where:
Base-Base interactions energy: -118.670
where: short stacking energy: -51.692
Base-Backbone interact. energy: -0.030
local terms energy: -66.485985
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.122
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: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -126.962372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.962372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.962372 (E_RNA)
where:
Base-Base interactions energy: -72.392
where: short stacking energy: -40.903
Base-Backbone interact. energy: 0.303
local terms energy: -54.873327
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -96.813195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.813195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.813195 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.075
local terms energy: -54.711600
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -87.072998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072998 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.134
local terms energy: -55.080119
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -91.918112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.918112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.918112 (E_RNA)
where:
Base-Base interactions energy: -27.512
where: short stacking energy: -27.479
Base-Backbone interact. energy: -0.055
local terms energy: -64.350962
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -11.780
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: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -79.112828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112828 (E_RNA)
where:
Base-Base interactions energy: -42.990
where: short stacking energy: -24.187
Base-Backbone interact. energy: -0.095
local terms energy: -36.028109
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -7.976
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -0.546
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: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -71.897987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.897987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.897987 (E_RNA)
where:
Base-Base interactions energy: -24.152
where: short stacking energy: -19.513
Base-Backbone interact. energy: 0.827
local terms energy: -48.572556
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -219.959993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.959993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.959993 (E_RNA)
where:
Base-Base interactions energy: -137.187
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.013
local terms energy: -82.759161
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -219.049379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.049379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.049379 (E_RNA)
where:
Base-Base interactions energy: -138.083
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.022
local terms energy: -80.944623
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -194.619473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.619473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.619473 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.098
local terms energy: -69.861697
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.640
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: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -163.588201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.588201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.588201 (E_RNA)
where:
Base-Base interactions energy: -102.680
where: short stacking energy: -50.402
Base-Backbone interact. energy: -0.073
local terms energy: -60.834280
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -6.187
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: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -113.614457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.614457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.614457 (E_RNA)
where:
Base-Base interactions energy: -61.750
where: short stacking energy: -35.329
Base-Backbone interact. energy: -0.664
local terms energy: -51.199950
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -87.399599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399599 (E_RNA)
where:
Base-Base interactions energy: -40.767
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.203
local terms energy: -46.430359
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -76.390704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390704 (E_RNA)
where:
Base-Base interactions energy: -38.197
where: short stacking energy: -18.843
Base-Backbone interact. energy: -0.067
local terms energy: -38.125940
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: 4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -85.259240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259240 (E_RNA)
where:
Base-Base interactions energy: -30.634
where: short stacking energy: -30.634
Base-Backbone interact. energy: -0.010
local terms energy: -54.614941
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -80.799082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.799082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.799082 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.134
local terms energy: -47.833402
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -65.643346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.643346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.643346 (E_RNA)
where:
Base-Base interactions energy: -21.323
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.176
local terms energy: -44.143835
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -219.707616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.707616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.707616 (E_RNA)
where:
Base-Base interactions energy: -137.854
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.019
local terms energy: -81.834518
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -20.169
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: 336
Temperature: 0.950000
Total energy: -213.847163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.847163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847163 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.035
local terms energy: -73.803886
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -198.735644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.735644 (E_RNA)
where:
Base-Base interactions energy: -127.871
where: short stacking energy: -57.140
Base-Backbone interact. energy: -0.132
local terms energy: -70.732602
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -173.565139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.565139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.565139 (E_RNA)
where:
Base-Base interactions energy: -111.677
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.155
local terms energy: -61.733223
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -12.925
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: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -136.264710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.264710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.264710 (E_RNA)
where:
Base-Base interactions energy: -73.618
where: short stacking energy: -44.804
Base-Backbone interact. energy: -0.009
local terms energy: -62.636900
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -81.398848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398848 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -22.974
Base-Backbone interact. energy: -0.289
local terms energy: -49.200368
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -93.108194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.108194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.108194 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -37.344
Base-Backbone interact. energy: -0.003
local terms energy: -55.252089
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -83.537067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537067 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -20.327
Base-Backbone interact. energy: -0.238
local terms energy: -54.687987
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -73.039286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.039286 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -25.934
Base-Backbone interact. energy: -0.101
local terms energy: -46.880915
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -8.480
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -82.322166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322166 (E_RNA)
where:
Base-Base interactions energy: -31.303
where: short stacking energy: -17.906
Base-Backbone interact. energy: -0.049
local terms energy: -50.970824
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -222.562576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.562576 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.002
local terms energy: -79.075256
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -22.030
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: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -215.915308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.915308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.915308 (E_RNA)
where:
Base-Base interactions energy: -133.581
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.154
local terms energy: -82.181028
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -18.790
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: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -208.699823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.699823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.699823 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.030
local terms energy: -76.308018
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -173.546818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.546818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.546818 (E_RNA)
where:
Base-Base interactions energy: -102.487
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.051
local terms energy: -71.008289
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.792
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -139.468257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.468257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.468257 (E_RNA)
where:
Base-Base interactions energy: -73.971
where: short stacking energy: -44.873
Base-Backbone interact. energy: -0.032
local terms energy: -65.465644
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -93.157223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157223 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.134
local terms energy: -54.437152
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -0.222
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: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -82.713690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.713690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.713690 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -26.832
Base-Backbone interact. energy: 0.262
local terms energy: -44.265785
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -9.558
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -80.301469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.301469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.301469 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.423
local terms energy: -47.987925
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -4.772
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -5.245
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -81.057027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057027 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -15.467
Base-Backbone interact. energy: -0.539
local terms energy: -52.288802
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -75.686436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.686436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.686436 (E_RNA)
where:
Base-Base interactions energy: -28.014
where: short stacking energy: -26.864
Base-Backbone interact. energy: -0.053
local terms energy: -47.619687
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -3.424
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: 338
Temperature: 0.900000
Total energy: -216.799511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.799511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.799511 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.001
local terms energy: -77.001765
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -21.641
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: 338
Temperature: 0.950000
Total energy: -220.975981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.975981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.975981 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.578
local terms energy: -82.489092
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -13.659
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: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -208.693303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.693303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.693303 (E_RNA)
where:
Base-Base interactions energy: -131.787
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.054
local terms energy: -76.852514
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -167.051185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.051185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.051185 (E_RNA)
where:
Base-Base interactions energy: -102.083
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.057
local terms energy: -64.911232
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -132.495115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.495115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.495115 (E_RNA)
where:
Base-Base interactions energy: -67.619
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.082
local terms energy: -64.794077
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.842
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: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -90.391957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391957 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.092
local terms energy: -53.555741
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -122.433127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.433127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.433127 (E_RNA)
where:
Base-Base interactions energy: -66.715
where: short stacking energy: -33.685
Base-Backbone interact. energy: -0.063
local terms energy: -55.654912
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -10.241
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: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -76.664684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.664684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.664684 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -27.540
Base-Backbone interact. energy: 0.649
local terms energy: -43.743227
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -81.575168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.575168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.575168 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -16.426
Base-Backbone interact. energy: -0.094
local terms energy: -44.606172
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -82.838446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.838446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.838446 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -21.607
Base-Backbone interact. energy: -0.263
local terms energy: -40.577567
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -210.077640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.077640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.077640 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.012
local terms energy: -77.872195
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -211.610769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.610769 (E_RNA)
where:
Base-Base interactions energy: -138.036
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.011
local terms energy: -73.563764
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -215.292387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292387 (E_RNA)
where:
Base-Base interactions energy: -136.093
where: short stacking energy: -63.731
Base-Backbone interact. energy: 3.246
local terms energy: -82.445342
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -162.021404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.021404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.021404 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -45.147
Base-Backbone interact. energy: 2.087
local terms energy: -58.324151
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -136.016734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.016734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.016734 (E_RNA)
where:
Base-Base interactions energy: -70.334
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.499
local terms energy: -65.184372
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -128.661174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.661174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.661174 (E_RNA)
where:
Base-Base interactions energy: -68.132
where: short stacking energy: -43.260
Base-Backbone interact. energy: -0.287
local terms energy: -60.242405
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -6.716
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: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -99.567269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567269 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.130
local terms energy: -60.079248
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -84.971165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971165 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.358
local terms energy: -50.710284
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -6.555
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: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -79.865523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865523 (E_RNA)
where:
Base-Base interactions energy: -24.443
where: short stacking energy: -21.026
Base-Backbone interact. energy: 0.647
local terms energy: -56.069422
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -2.821
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: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -76.425883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.425883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.425883 (E_RNA)
where:
Base-Base interactions energy: -26.603
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.045
local terms energy: -49.778080
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -6.670
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: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -220.455957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.455957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.455957 (E_RNA)
where:
Base-Base interactions energy: -144.522
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.036
local terms energy: -75.897606
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -21.111
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: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -215.983885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.983885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.983885 (E_RNA)
where:
Base-Base interactions energy: -135.452
where: short stacking energy: -68.366
Base-Backbone interact. energy: 1.048
local terms energy: -81.580186
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.813
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: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -214.137921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.137921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.137921 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.014
local terms energy: -75.978106
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -22.961
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: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -173.350444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.350444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.350444 (E_RNA)
where:
Base-Base interactions energy: -107.184
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.057
local terms energy: -66.108837
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -157.579224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.579224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.579224 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -42.378
Base-Backbone interact. energy: 0.461
local terms energy: -60.184701
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.568
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: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -113.411114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.411114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.411114 (E_RNA)
where:
Base-Base interactions energy: -60.322
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.049
local terms energy: -53.039792
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -81.379049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.379049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.379049 (E_RNA)
where:
Base-Base interactions energy: -31.382
where: short stacking energy: -28.554
Base-Backbone interact. energy: 0.185
local terms energy: -50.181921
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -4.067
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -95.850160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.850160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.850160 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.725
local terms energy: -57.514113
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -6.738
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: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -82.562170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.562170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.562170 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.089
local terms energy: -48.965759
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -69.814507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.814507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.814507 (E_RNA)
where:
Base-Base interactions energy: -24.226
where: short stacking energy: -24.226
Base-Backbone interact. energy: -0.071
local terms energy: -45.517358
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -213.162850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.162850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.162850 (E_RNA)
where:
Base-Base interactions energy: -138.276
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.199
local terms energy: -74.687633
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -213.943761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.943761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.943761 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.104
local terms energy: -74.693014
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -208.087956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087956 (E_RNA)
where:
Base-Base interactions energy: -136.496
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.280
local terms energy: -71.311749
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -173.315144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.315144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.315144 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -32.097
Base-Backbone interact. energy: -0.230
local terms energy: -57.797860
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -158.009484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.009484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.009484 (E_RNA)
where:
Base-Base interactions energy: -91.510
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.186
local terms energy: -66.314150
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -9.472
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: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -108.963931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.963931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.963931 (E_RNA)
where:
Base-Base interactions energy: -51.330
where: short stacking energy: -44.179
Base-Backbone interact. energy: -0.095
local terms energy: -57.539247
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.095
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: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -84.151262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.151262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.151262 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -18.437
Base-Backbone interact. energy: -0.541
local terms energy: -55.896456
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -98.611543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.611543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.611543 (E_RNA)
where:
Base-Base interactions energy: -53.357
where: short stacking energy: -31.583
Base-Backbone interact. energy: -1.757
local terms energy: -43.497550
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: 0.001
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: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -73.899155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.899155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.899155 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -29.572
Base-Backbone interact. energy: 1.294
local terms energy: -42.104077
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -74.531314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.531314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.531314 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.141
local terms energy: -46.755790
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -213.801657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.801657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.801657 (E_RNA)
where:
Base-Base interactions energy: -130.826
where: short stacking energy: -63.833
Base-Backbone interact. energy: -1.114
local terms energy: -81.860859
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -213.585498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.585498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.585498 (E_RNA)
where:
Base-Base interactions energy: -138.867
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.057
local terms energy: -74.661199
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -214.065555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.065555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.065555 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -62.736
Base-Backbone interact. energy: -3.035
local terms energy: -73.092794
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -167.806145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.806145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.806145 (E_RNA)
where:
Base-Base interactions energy: -103.831
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.285
local terms energy: -63.690578
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -166.988275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.988275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.988275 (E_RNA)
where:
Base-Base interactions energy: -102.138
where: short stacking energy: -47.136
Base-Backbone interact. energy: 2.053
local terms energy: -66.903714
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.765
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: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -101.919139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.919139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.919139 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -39.684
Base-Backbone interact. energy: -0.087
local terms energy: -62.147483
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -88.423628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.423628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.423628 (E_RNA)
where:
Base-Base interactions energy: -38.987
where: short stacking energy: -38.987
Base-Backbone interact. energy: -0.080
local terms energy: -49.356519
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -83.011980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.011980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.011980 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.168
local terms energy: -48.354237
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -85.608214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.608214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.608214 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.038
local terms energy: -59.665928
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -82.599734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599734 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -19.884
Base-Backbone interact. energy: -0.044
local terms energy: -47.021243
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -216.659335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.659335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.659335 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.009
local terms energy: -80.347468
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -215.397253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.397253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.397253 (E_RNA)
where:
Base-Base interactions energy: -134.537
where: short stacking energy: -62.514
Base-Backbone interact. energy: 0.483
local terms energy: -81.342405
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -20.643
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: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -213.157735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.157735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.157735 (E_RNA)
where:
Base-Base interactions energy: -137.187
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.030
local terms energy: -75.940793
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -19.635
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -160.802670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.802670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.802670 (E_RNA)
where:
Base-Base interactions energy: -106.720
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.880
local terms energy: -53.202334
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -154.411752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.411752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.411752 (E_RNA)
where:
Base-Base interactions energy: -100.358
where: short stacking energy: -43.410
Base-Backbone interact. energy: -0.924
local terms energy: -53.129681
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -10.663
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: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -122.258821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.258821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.258821 (E_RNA)
where:
Base-Base interactions energy: -67.826
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.263
local terms energy: -54.169206
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -92.924321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924321 (E_RNA)
where:
Base-Base interactions energy: -49.600
where: short stacking energy: -31.879
Base-Backbone interact. energy: -0.024
local terms energy: -43.300561
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.122156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.122156 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.956
local terms energy: -42.560014
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -78.536659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.536659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.536659 (E_RNA)
where:
Base-Base interactions energy: -29.484
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.193
local terms energy: -48.860229
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -75.696730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.696730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.696730 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -19.728
Base-Backbone interact. energy: -0.488
local terms energy: -48.790457
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -214.196190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.196190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.196190 (E_RNA)
where:
Base-Base interactions energy: -134.731
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.618
local terms energy: -78.847030
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -205.135924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.135924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.135924 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.770
local terms energy: -62.714273
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -204.032178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.032178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.032178 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.001
local terms energy: -72.729664
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.858
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: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -166.496923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.496923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.496923 (E_RNA)
where:
Base-Base interactions energy: -99.962
where: short stacking energy: -49.009
Base-Backbone interact. energy: -0.242
local terms energy: -66.292936
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -12.115
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: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -148.190322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.190322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.190322 (E_RNA)
where:
Base-Base interactions energy: -84.102
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.455
local terms energy: -63.633645
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -139.362608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.362608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.362608 (E_RNA)
where:
Base-Base interactions energy: -81.200
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.075
local terms energy: -58.088252
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -12.716
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -87.730849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730849 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.241
local terms energy: -53.457476
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -92.713260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.713260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.713260 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.011
local terms energy: -56.093308
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -8.120
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -83.950819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.950819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.950819 (E_RNA)
where:
Base-Base interactions energy: -21.401
where: short stacking energy: -21.401
Base-Backbone interact. energy: -0.013
local terms energy: -62.537301
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -8.782
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: 344
Temperature: 1.350000
Total energy: -70.774171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.774171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.774171 (E_RNA)
where:
Base-Base interactions energy: -21.637
where: short stacking energy: -22.637
Base-Backbone interact. energy: -0.157
local terms energy: -48.980437
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -215.992819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.992819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.992819 (E_RNA)
where:
Base-Base interactions energy: -136.391
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.006
local terms energy: -79.595690
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -214.214135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.214135 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.032
local terms energy: -74.001626
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -209.396668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396668 (E_RNA)
where:
Base-Base interactions energy: -130.229
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.000
local terms energy: -79.166844
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -178.851860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.851860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.851860 (E_RNA)
where:
Base-Base interactions energy: -110.093
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.138
local terms energy: -68.621154
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -13.422
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: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -154.580268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.580268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.580268 (E_RNA)
where:
Base-Base interactions energy: -91.012
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.105
local terms energy: -63.464039
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -10.502
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: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -136.653698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.653698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.653698 (E_RNA)
where:
Base-Base interactions energy: -87.216
where: short stacking energy: -40.885
Base-Backbone interact. energy: -0.425
local terms energy: -49.012662
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -81.748959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.748959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.748959 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.189
local terms energy: -46.433578
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -87.952446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.952446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.952446 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -16.694
Base-Backbone interact. energy: -0.182
local terms energy: -51.264493
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -87.644319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.644319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.644319 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -32.144
Base-Backbone interact. energy: 0.208
local terms energy: -49.980484
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -80.547381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.547381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.547381 (E_RNA)
where:
Base-Base interactions energy: -25.604
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.199
local terms energy: -54.744613
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -216.976404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.976404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.976404 (E_RNA)
where:
Base-Base interactions energy: -139.705
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.039
local terms energy: -77.232748
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -216.010245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.010245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.010245 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -63.649
Base-Backbone interact. energy: -0.103
local terms energy: -72.014868
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -8.680
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: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -214.745198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.745198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.745198 (E_RNA)
where:
Base-Base interactions energy: -137.898
where: short stacking energy: -61.386
Base-Backbone interact. energy: 1.255
local terms energy: -78.101844
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -11.680
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: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -170.692695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.692695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.692695 (E_RNA)
where:
Base-Base interactions energy: -110.614
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.108
local terms energy: -59.970529
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -163.831038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.831038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.831038 (E_RNA)
where:
Base-Base interactions energy: -110.957
where: short stacking energy: -44.343
Base-Backbone interact. energy: -0.148
local terms energy: -52.725969
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -136.255462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.255462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.255462 (E_RNA)
where:
Base-Base interactions energy: -77.167
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.112
local terms energy: -58.975880
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -88.199628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199628 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.182
local terms energy: -56.884216
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.528
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: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -77.195437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.195437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.195437 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -19.195
Base-Backbone interact. energy: -0.052
local terms energy: -47.778567
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: 1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -85.294734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.294734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.294734 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.001
local terms energy: -58.001298
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -8.609
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: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -83.726908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.726908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.726908 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -20.900
Base-Backbone interact. energy: -0.110
local terms energy: -51.764324
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -215.188605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.188605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.188605 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.845
local terms energy: -77.795517
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -215.856556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.856556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856556 (E_RNA)
where:
Base-Base interactions energy: -141.867
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.166
local terms energy: -73.824140
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -207.555263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.555263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.555263 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.617
local terms energy: -69.338617
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -160.687938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.687938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.687938 (E_RNA)
where:
Base-Base interactions energy: -93.393
where: short stacking energy: -42.221
Base-Backbone interact. energy: -0.179
local terms energy: -67.116432
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -7.075
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -165.409720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.409720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.409720 (E_RNA)
where:
Base-Base interactions energy: -99.781
where: short stacking energy: -52.842
Base-Backbone interact. energy: 0.713
local terms energy: -66.341257
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -12.454
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: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -153.775816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.775816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.775816 (E_RNA)
where:
Base-Base interactions energy: -98.531
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.015
local terms energy: -55.229222
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -86.256196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.256196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.256196 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -28.662
Base-Backbone interact. energy: 0.080
local terms energy: -56.266736
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -2.573
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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -86.825748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.825748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.825748 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.091
local terms energy: -57.548378
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -75.098830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.098830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.098830 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -20.877
Base-Backbone interact. energy: -0.083
local terms energy: -44.256116
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -73.721419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.721419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.721419 (E_RNA)
where:
Base-Base interactions energy: -33.271
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.342
local terms energy: -40.108599
where:
bonds (distance) C4'-P energy: -4.530
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -0.557
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: 348
Temperature: 0.900000
Total energy: -215.095521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.095521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.095521 (E_RNA)
where:
Base-Base interactions energy: -135.406
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.052
local terms energy: -79.637851
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -22.613
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: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -216.101709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.101709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.101709 (E_RNA)
where:
Base-Base interactions energy: -134.921
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.172
local terms energy: -81.008545
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -179.505945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.505945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.505945 (E_RNA)
where:
Base-Base interactions energy: -104.147
where: short stacking energy: -58.367
Base-Backbone interact. energy: 0.278
local terms energy: -75.636604
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.443
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -205.266992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.266992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.266992 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.010
local terms energy: -78.575164
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -161.586337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.586337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.586337 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.073
local terms energy: -61.178783
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -97.568497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.568497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.568497 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.019
local terms energy: -61.390571
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -101.966273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966273 (E_RNA)
where:
Base-Base interactions energy: -47.139
where: short stacking energy: -29.905
Base-Backbone interact. energy: 0.985
local terms energy: -55.812309
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -82.632488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632488 (E_RNA)
where:
Base-Base interactions energy: -27.013
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.710
local terms energy: -54.908789
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -83.084440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.084440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.084440 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -24.817
Base-Backbone interact. energy: 1.327
local terms energy: -47.878278
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -70.280871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.280871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.280871 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -21.926
Base-Backbone interact. energy: -0.235
local terms energy: -47.346022
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -0.189
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: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -219.531843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.531843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.531843 (E_RNA)
where:
Base-Base interactions energy: -145.742
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.695
local terms energy: -73.094897
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -208.393725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.393725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393725 (E_RNA)
where:
Base-Base interactions energy: -132.504
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.138
local terms energy: -75.752005
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -150.103535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.103535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.103535 (E_RNA)
where:
Base-Base interactions energy: -83.004
where: short stacking energy: -49.899
Base-Backbone interact. energy: -0.231
local terms energy: -66.869453
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -198.393592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.393592 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.848
local terms energy: -72.358522
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -11.117
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -145.472565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.472565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.472565 (E_RNA)
where:
Base-Base interactions energy: -91.047
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.304
local terms energy: -54.121423
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -94.018460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018460 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.070
local terms energy: -59.389353
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -84.116400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116400 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.020
local terms energy: -56.797181
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -77.957092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.957092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.957092 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -31.292
Base-Backbone interact. energy: -0.152
local terms energy: -46.512698
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -80.955512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955512 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -30.079
Base-Backbone interact. energy: 0.830
local terms energy: -51.705947
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -73.438244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.438244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.438244 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -27.488
Base-Backbone interact. energy: -1.033
local terms energy: -44.917623
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -221.196100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.196100 (E_RNA)
where:
Base-Base interactions energy: -137.404
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.940
local terms energy: -82.851454
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -210.196872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.196872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.196872 (E_RNA)
where:
Base-Base interactions energy: -138.161
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.130
local terms energy: -71.905768
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.697
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: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -203.624093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.624093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.624093 (E_RNA)
where:
Base-Base interactions energy: -131.024
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.095
local terms energy: -72.505723
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -144.672838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.672838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.672838 (E_RNA)
where:
Base-Base interactions energy: -87.296
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.178
local terms energy: -57.199028
where:
bonds (distance) C4'-P energy: -6.037
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -141.949163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.949163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.949163 (E_RNA)
where:
Base-Base interactions energy: -80.256
where: short stacking energy: -36.247
Base-Backbone interact. energy: -0.924
local terms energy: -60.769228
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -84.441978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.441978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.441978 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -27.788
Base-Backbone interact. energy: -0.313
local terms energy: -56.341526
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -88.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104133 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.100
local terms energy: -57.571417
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -83.521509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521509 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.220
local terms energy: -51.056536
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -94.863258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.863258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.863258 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -36.210
Base-Backbone interact. energy: -1.863
local terms energy: -54.736052
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -6.176
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: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -81.674227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.674227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.674227 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -16.413
Base-Backbone interact. energy: -0.218
local terms energy: -50.189644
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.692
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: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -219.263180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.263180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.263180 (E_RNA)
where:
Base-Base interactions energy: -139.326
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.052
local terms energy: -79.884810
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -213.974926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974926 (E_RNA)
where:
Base-Base interactions energy: -138.413
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.006
local terms energy: -75.556295
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -197.768101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768101 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.490
local terms energy: -66.982453
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.015
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: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -105.797350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.797350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.797350 (E_RNA)
where:
Base-Base interactions energy: -47.373
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.142
local terms energy: -58.282630
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -146.013807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.013807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.013807 (E_RNA)
where:
Base-Base interactions energy: -91.030
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.636
local terms energy: -54.348414
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -91.818688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.818688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.818688 (E_RNA)
where:
Base-Base interactions energy: -35.984
where: short stacking energy: -33.665
Base-Backbone interact. energy: -0.006
local terms energy: -55.829378
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -9.488
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: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -87.815457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815457 (E_RNA)
where:
Base-Base interactions energy: -24.729
where: short stacking energy: -21.778
Base-Backbone interact. energy: -0.059
local terms energy: -63.027937
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -6.210
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: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -75.763050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.763050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.763050 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.004
local terms energy: -46.381883
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -5.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -78.403353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.403353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.403353 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -27.028
Base-Backbone interact. energy: -0.051
local terms energy: -51.324743
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -74.290846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.290846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.290846 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.818
local terms energy: -48.569911
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -224.466953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.466953 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.020
local terms energy: -80.080081
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -219.031954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.031954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.031954 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.007
local terms energy: -82.291798
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -22.638
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: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -210.271168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.271168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.271168 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -64.125
Base-Backbone interact. energy: 0.330
local terms energy: -76.423044
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -104.496273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.496273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.496273 (E_RNA)
where:
Base-Base interactions energy: -41.779
where: short stacking energy: -41.779
Base-Backbone interact. energy: -0.455
local terms energy: -62.262029
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -120.263189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.263189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.263189 (E_RNA)
where:
Base-Base interactions energy: -57.756
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.012
local terms energy: -62.495760
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -89.267038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.267038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.267038 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.330
local terms energy: -50.438054
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -93.214342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.214342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.214342 (E_RNA)
where:
Base-Base interactions energy: -47.641
where: short stacking energy: -22.207
Base-Backbone interact. energy: -1.136
local terms energy: -44.437970
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -82.554665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.554665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.554665 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.106
local terms energy: -54.308599
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -77.270715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.270715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.270715 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.130
local terms energy: -48.540501
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -82.643593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643593 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.008
local terms energy: -52.579472
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -218.871155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.871155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.871155 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.074
local terms energy: -72.271071
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -212.009519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.009519 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.060
local terms energy: -84.278817
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -23.111
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -207.784315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.784315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.784315 (E_RNA)
where:
Base-Base interactions energy: -135.000
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.073
local terms energy: -72.711833
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -130.069201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.069201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.069201 (E_RNA)
where:
Base-Base interactions energy: -69.831
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.180
local terms energy: -60.057964
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -11.053
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -96.927382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927382 (E_RNA)
where:
Base-Base interactions energy: -38.318
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.129
local terms energy: -58.480696
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -8.553
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: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -103.583759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.583759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.583759 (E_RNA)
where:
Base-Base interactions energy: -40.583
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.021
local terms energy: -62.980316
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -99.232582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.232582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.232582 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.117
local terms energy: -56.701637
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -84.420259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.420259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.420259 (E_RNA)
where:
Base-Base interactions energy: -29.634
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.055
local terms energy: -54.730929
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -3.348
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: 353
Temperature: 1.300000
Total energy: -99.445458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445458 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -22.953
Base-Backbone interact. energy: -0.059
local terms energy: -59.479026
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.664
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -72.440801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.440801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.440801 (E_RNA)
where:
Base-Base interactions energy: -26.443
where: short stacking energy: -26.168
Base-Backbone interact. energy: -0.069
local terms energy: -45.929334
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -214.387920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.387920 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.011
local terms energy: -76.086287
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -215.042223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.042223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.042223 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.820
local terms energy: -76.359590
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -208.810689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.810689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.810689 (E_RNA)
where:
Base-Base interactions energy: -132.381
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.466
local terms energy: -75.963008
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -142.519149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.519149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.519149 (E_RNA)
where:
Base-Base interactions energy: -86.544
where: short stacking energy: -39.720
Base-Backbone interact. energy: -1.115
local terms energy: -54.859458
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -124.143453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.143453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.143453 (E_RNA)
where:
Base-Base interactions energy: -70.314
where: short stacking energy: -42.516
Base-Backbone interact. energy: -0.695
local terms energy: -53.134994
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -5.163
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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -100.114429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.114429 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.326
local terms energy: -61.331644
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -8.787
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -86.026920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026920 (E_RNA)
where:
Base-Base interactions energy: -28.203
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.228
local terms energy: -57.596410
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -95.243120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.243120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.243120 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -27.080
Base-Backbone interact. energy: -0.502
local terms energy: -57.944732
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -81.107169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.107169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.107169 (E_RNA)
where:
Base-Base interactions energy: -35.339
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.035
local terms energy: -45.733029
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -77.882146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.882146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.882146 (E_RNA)
where:
Base-Base interactions energy: -28.067
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.454
local terms energy: -49.360541
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -223.574892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.574892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.574892 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.324
local terms energy: -80.418980
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -215.610633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.610633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.610633 (E_RNA)
where:
Base-Base interactions energy: -140.852
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.834
local terms energy: -73.925540
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -210.008953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008953 (E_RNA)
where:
Base-Base interactions energy: -135.530
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.298
local terms energy: -74.180523
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.552
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: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -131.678361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.678361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.678361 (E_RNA)
where:
Base-Base interactions energy: -71.810
where: short stacking energy: -39.223
Base-Backbone interact. energy: -0.126
local terms energy: -59.741948
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -85.693270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.693270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.693270 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -29.228
Base-Backbone interact. energy: 1.048
local terms energy: -57.513318
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -89.164742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164742 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -24.788
Base-Backbone interact. energy: 0.006
local terms energy: -57.367953
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -99.167551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167551 (E_RNA)
where:
Base-Base interactions energy: -56.060
where: short stacking energy: -34.646
Base-Backbone interact. energy: 0.095
local terms energy: -43.202526
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -78.108288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.108288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.108288 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.284
local terms energy: -46.483451
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -69.723224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.723224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.723224 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -22.677
Base-Backbone interact. energy: -1.530
local terms energy: -41.346837
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: 1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -89.857375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857375 (E_RNA)
where:
Base-Base interactions energy: -30.905
where: short stacking energy: -26.512
Base-Backbone interact. energy: -0.059
local terms energy: -58.893050
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -211.526811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.526811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.526811 (E_RNA)
where:
Base-Base interactions energy: -134.649
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.252
local terms energy: -76.626125
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -215.932906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.932906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.932906 (E_RNA)
where:
Base-Base interactions energy: -135.124
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.253
local terms energy: -80.556128
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -20.566
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: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -204.978596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.978596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.978596 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.116
local terms energy: -78.804664
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -21.426
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: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -161.565851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.565851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.565851 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -47.307
Base-Backbone interact. energy: -0.357
local terms energy: -65.306486
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -12.088
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: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -95.363448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.363448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.363448 (E_RNA)
where:
Base-Base interactions energy: -39.295
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.122
local terms energy: -55.946559
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -92.865403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.865403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.865403 (E_RNA)
where:
Base-Base interactions energy: -51.485
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.106
local terms energy: -41.274474
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -91.796872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.796872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.796872 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.739
local terms energy: -58.382940
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -10.277
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: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -88.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.518600 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.138
local terms energy: -46.363203
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -74.570693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.570693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.570693 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.917
local terms energy: -39.278094
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -8.062
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -88.703785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703785 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -15.714
Base-Backbone interact. energy: -0.115
local terms energy: -45.770855
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -216.267001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.267001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.267001 (E_RNA)
where:
Base-Base interactions energy: -143.517
where: short stacking energy: -65.465
Base-Backbone interact. energy: 0.988
local terms energy: -73.737517
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -207.237755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.237755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.237755 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.394
local terms energy: -71.896039
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -210.066359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.066359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.066359 (E_RNA)
where:
Base-Base interactions energy: -139.235
where: short stacking energy: -64.291
Base-Backbone interact. energy: 0.092
local terms energy: -70.923180
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.626
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -163.272272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.272272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.272272 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.514
local terms energy: -65.962292
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.835
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: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -102.346521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.346521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.346521 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -37.647
Base-Backbone interact. energy: -0.403
local terms energy: -64.296772
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -91.661145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.661145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.661145 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -29.613
Base-Backbone interact. energy: -0.069
local terms energy: -57.457105
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -92.110265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.110265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.110265 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -28.823
Base-Backbone interact. energy: 0.240
local terms energy: -56.419932
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -5.900
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: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -78.472699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.472699 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -30.524
Base-Backbone interact. energy: 1.005
local terms energy: -45.793606
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -6.121
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: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -73.028417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.028417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.028417 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -26.166
Base-Backbone interact. energy: -0.131
local terms energy: -42.879264
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -103.020415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.020415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.020415 (E_RNA)
where:
Base-Base interactions energy: -55.792
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.195
local terms energy: -47.033224
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -230.023093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.023093 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.018
local terms energy: -82.768489
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -23.540
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -216.426724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.426724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.426724 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.047
local terms energy: -81.295065
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -184.845790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.845790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.845790 (E_RNA)
where:
Base-Base interactions energy: -114.468
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.376
local terms energy: -70.001731
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -16.216
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: 358
Temperature: 1.050000
Total energy: -207.210510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.210510 (E_RNA)
where:
Base-Base interactions energy: -132.497
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.015
local terms energy: -74.698654
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -93.228821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.228821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.228821 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.227
local terms energy: -50.872541
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -93.075052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075052 (E_RNA)
where:
Base-Base interactions energy: -40.016
where: short stacking energy: -38.893
Base-Backbone interact. energy: -0.013
local terms energy: -53.045842
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -91.613846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.613846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.613846 (E_RNA)
where:
Base-Base interactions energy: -45.707
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.034
local terms energy: -45.872653
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -77.737554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737554 (E_RNA)
where:
Base-Base interactions energy: -30.345
where: short stacking energy: -23.024
Base-Backbone interact. energy: 0.015
local terms energy: -47.407983
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: 3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -94.909924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.909924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.909924 (E_RNA)
where:
Base-Base interactions energy: -39.267
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.231
local terms energy: -55.412210
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -72.010388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.010388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.010388 (E_RNA)
where:
Base-Base interactions energy: -25.483
where: short stacking energy: -22.636
Base-Backbone interact. energy: -1.097
local terms energy: -45.429952
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -216.127863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.127863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.127863 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.009
local terms energy: -82.579747
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -185.826902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.826902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.826902 (E_RNA)
where:
Base-Base interactions energy: -116.569
where: short stacking energy: -53.410
Base-Backbone interact. energy: -0.124
local terms energy: -69.133769
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -16.044
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -208.688763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.688763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.688763 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.034
local terms energy: -75.106345
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -201.995693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.995693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.995693 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.030
local terms energy: -76.692333
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -101.013534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.013534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.013534 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.072
local terms energy: -59.708905
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -102.466396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466396 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.002
local terms energy: -55.166528
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -99.831038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831038 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -44.093
Base-Backbone interact. energy: -0.162
local terms energy: -55.576228
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -90.242401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.242401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.242401 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -37.267
Base-Backbone interact. energy: -0.309
local terms energy: -45.359160
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -9.924
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: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -82.870925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.870925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.870925 (E_RNA)
where:
Base-Base interactions energy: -32.606
where: short stacking energy: -24.812
Base-Backbone interact. energy: -1.072
local terms energy: -49.192167
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -66.538681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.538681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.538681 (E_RNA)
where:
Base-Base interactions energy: -22.751
where: short stacking energy: -22.751
Base-Backbone interact. energy: 0.110
local terms energy: -43.897188
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -224.695555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.695555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.695555 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.086
local terms energy: -79.091182
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -176.978853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.978853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.978853 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -43.147
Base-Backbone interact. energy: -0.104
local terms energy: -56.244894
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -6.041
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: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -207.356910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.356910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.356910 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.562
local terms energy: -71.639733
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -12.401
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: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -203.382325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.382325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.382325 (E_RNA)
where:
Base-Base interactions energy: -132.690
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.410
local terms energy: -70.282074
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -12.291
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: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -98.492770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.492770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.492770 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -39.538
Base-Backbone interact. energy: -0.073
local terms energy: -58.096642
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.387
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -99.848594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.848594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.848594 (E_RNA)
where:
Base-Base interactions energy: -30.715
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.004
local terms energy: -69.129326
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -13.181
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -85.074152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.074152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.074152 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.000
local terms energy: -51.924187
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -84.164027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164027 (E_RNA)
where:
Base-Base interactions energy: -24.841
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.997
local terms energy: -58.325761
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -78.478592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.478592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.478592 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -29.710
Base-Backbone interact. energy: 2.352
local terms energy: -41.450758
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: 2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -76.817462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817462 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -19.189
Base-Backbone interact. energy: 0.589
local terms energy: -52.007367
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -221.340368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.340368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.340368 (E_RNA)
where:
Base-Base interactions energy: -140.301
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.036
local terms energy: -81.002586
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -13.212
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: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -212.604486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.604486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.604486 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.223
local terms energy: -80.665098
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -23.868
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -178.298584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.298584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.298584 (E_RNA)
where:
Base-Base interactions energy: -109.324
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.268
local terms energy: -68.706430
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -13.994
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: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -212.868050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.868050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.868050 (E_RNA)
where:
Base-Base interactions energy: -130.582
where: short stacking energy: -61.414
Base-Backbone interact. energy: -0.044
local terms energy: -82.241836
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -110.071381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.071381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.071381 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.178
local terms energy: -58.578537
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -101.245238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.245238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.245238 (E_RNA)
where:
Base-Base interactions energy: -48.441
where: short stacking energy: -30.482
Base-Backbone interact. energy: 0.667
local terms energy: -53.470852
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -83.516581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.516581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.516581 (E_RNA)
where:
Base-Base interactions energy: -24.999
where: short stacking energy: -26.023
Base-Backbone interact. energy: -1.372
local terms energy: -57.145375
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -83.537735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537735 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -33.471
Base-Backbone interact. energy: 1.844
local terms energy: -45.207145
where:
bonds (distance) C4'-P energy: -7.351
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.584988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.584988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.584988 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -31.278
Base-Backbone interact. energy: -0.208
local terms energy: -51.693040
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -4.683
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: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -76.906598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906598 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.067
local terms energy: -50.125641
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -217.095292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.095292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.095292 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.004
local terms energy: -82.217591
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -217.135743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.135743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.135743 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.289
local terms energy: -76.431696
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.802
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: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -212.259945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.259945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.259945 (E_RNA)
where:
Base-Base interactions energy: -130.330
where: short stacking energy: -62.898
Base-Backbone interact. energy: 1.271
local terms energy: -83.200877
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -22.674
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: 362
Temperature: 1.050000
Total energy: -181.005933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.005933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.005933 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.135
local terms energy: -62.140787
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -89.394000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.394000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.394000 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.077
local terms energy: -47.273786
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -107.475680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.475680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.475680 (E_RNA)
where:
Base-Base interactions energy: -55.064
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.067
local terms energy: -52.345135
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -103.307608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.307608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.307608 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -43.119
Base-Backbone interact. energy: -0.055
local terms energy: -60.134203
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -76.386081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.386081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.386081 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -21.696
Base-Backbone interact. energy: 0.330
local terms energy: -48.086180
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -70.535931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.535931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.535931 (E_RNA)
where:
Base-Base interactions energy: -24.340
where: short stacking energy: -13.794
Base-Backbone interact. energy: -0.089
local terms energy: -46.107708
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -85.820869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.820869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.820869 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -22.416
Base-Backbone interact. energy: -0.162
local terms energy: -60.812690
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -9.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -222.562168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.562168 (E_RNA)
where:
Base-Base interactions energy: -138.426
where: short stacking energy: -65.465
Base-Backbone interact. energy: -0.004
local terms energy: -84.132170
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -23.547
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: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -214.600037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.600037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.600037 (E_RNA)
where:
Base-Base interactions energy: -132.010
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.012
local terms energy: -82.577276
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.648
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: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -213.139887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.139887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.139887 (E_RNA)
where:
Base-Base interactions energy: -134.012
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.630
local terms energy: -78.498066
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -187.437953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.437953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.437953 (E_RNA)
where:
Base-Base interactions energy: -126.206
where: short stacking energy: -52.584
Base-Backbone interact. energy: 1.641
local terms energy: -62.872638
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.842
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -92.960957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.960957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.960957 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -34.938
Base-Backbone interact. energy: -0.150
local terms energy: -56.971642
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -6.893
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -82.896379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896379 (E_RNA)
where:
Base-Base interactions energy: -34.685
where: short stacking energy: -21.513
Base-Backbone interact. energy: -0.166
local terms energy: -48.045339
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -109.783159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.783159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.783159 (E_RNA)
where:
Base-Base interactions energy: -58.824
where: short stacking energy: -35.623
Base-Backbone interact. energy: 0.195
local terms energy: -51.154015
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -94.577276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.577276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.577276 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.014
local terms energy: -53.871301
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -9.195
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -75.813248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.813248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.813248 (E_RNA)
where:
Base-Base interactions energy: -26.950
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.212
local terms energy: -48.652082
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -69.622862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.622862 (E_RNA)
where:
Base-Base interactions energy: -25.131
where: short stacking energy: -20.355
Base-Backbone interact. energy: -1.281
local terms energy: -43.211583
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -219.834415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834415 (E_RNA)
where:
Base-Base interactions energy: -133.191
where: short stacking energy: -65.840
Base-Backbone interact. energy: -0.941
local terms energy: -85.702748
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -20.365
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -211.995370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.995370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.995370 (E_RNA)
where:
Base-Base interactions energy: -136.585
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.008
local terms energy: -75.402302
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -205.350079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.350079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.350079 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.017
local terms energy: -72.287139
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -9.558
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -184.117487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.117487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.117487 (E_RNA)
where:
Base-Base interactions energy: -113.073
where: short stacking energy: -45.788
Base-Backbone interact. energy: -0.054
local terms energy: -70.990341
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -14.183
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: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -108.470995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.470995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.470995 (E_RNA)
where:
Base-Base interactions energy: -44.053
where: short stacking energy: -44.053
Base-Backbone interact. energy: -0.231
local terms energy: -64.187662
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -89.975181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.975181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.975181 (E_RNA)
where:
Base-Base interactions energy: -36.269
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.245
local terms energy: -53.460794
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -103.914447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.914447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.914447 (E_RNA)
where:
Base-Base interactions energy: -50.829
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.196
local terms energy: -52.890065
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -7.874
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: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -79.856411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.856411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.856411 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.090
local terms energy: -50.706636
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -77.670261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670261 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.079
local terms energy: -44.036824
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.285774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.285774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.285774 (E_RNA)
where:
Base-Base interactions energy: -30.875
where: short stacking energy: -18.200
Base-Backbone interact. energy: -0.393
local terms energy: -40.017864
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: 4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -222.843414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.843414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.843414 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.012
local terms energy: -84.199929
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -219.358682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.358682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.358682 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.037
local terms energy: -82.163745
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -199.889110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.889110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.889110 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.121
local terms energy: -68.710716
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -12.183
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -164.600611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.600611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.600611 (E_RNA)
where:
Base-Base interactions energy: -101.197
where: short stacking energy: -39.783
Base-Backbone interact. energy: -1.662
local terms energy: -61.741215
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -9.175
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -98.904484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.904484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.904484 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -40.265
Base-Backbone interact. energy: -0.089
local terms energy: -58.227521
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -100.089252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.089252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.089252 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.106
local terms energy: -58.891965
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -101.032202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.032202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.032202 (E_RNA)
where:
Base-Base interactions energy: -46.434
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.241
local terms energy: -54.356817
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -80.372148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.372148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.372148 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.007
local terms energy: -57.692645
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -7.360
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: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -91.606318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606318 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.146
local terms energy: -54.085567
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -5.169
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -72.183600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.183600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.183600 (E_RNA)
where:
Base-Base interactions energy: -23.871
where: short stacking energy: -21.492
Base-Backbone interact. energy: -1.023
local terms energy: -47.289825
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -215.228085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228085 (E_RNA)
where:
Base-Base interactions energy: -141.502
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.101
local terms energy: -73.625617
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -220.142673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.142673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.142673 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.003
local terms energy: -81.125510
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -22.139
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: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -197.570290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.570290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.570290 (E_RNA)
where:
Base-Base interactions energy: -125.495
where: short stacking energy: -59.279
Base-Backbone interact. energy: 0.165
local terms energy: -72.241216
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.825
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: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -174.838940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.838940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.838940 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.042
local terms energy: -65.740383
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -16.533
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: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -106.600827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600827 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -45.381
Base-Backbone interact. energy: 0.230
local terms energy: -61.449655
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -106.337247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.337247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.337247 (E_RNA)
where:
Base-Base interactions energy: -43.798
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.093
local terms energy: -62.445688
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -8.585
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: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -91.404798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404798 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.106
local terms energy: -58.655542
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -87.489879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489879 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -25.090
Base-Backbone interact. energy: 1.392
local terms energy: -59.438465
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -74.901257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.901257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.901257 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -17.621
Base-Backbone interact. energy: -0.163
local terms energy: -47.247013
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -81.381055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381055 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.021
local terms energy: -41.281655
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -226.797409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797409 (E_RNA)
where:
Base-Base interactions energy: -146.824
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.026
local terms energy: -79.947210
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -22.721
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: 367
Temperature: 0.950000
Total energy: -211.823829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.823829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.823829 (E_RNA)
where:
Base-Base interactions energy: -134.625
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.108
local terms energy: -77.090861
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -19.920
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -207.899620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.899620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.899620 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.028
local terms energy: -69.824105
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -192.334584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.334584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.334584 (E_RNA)
where:
Base-Base interactions energy: -123.070
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.459
local terms energy: -68.805529
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.721
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: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -128.908919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.908919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.908919 (E_RNA)
where:
Base-Base interactions energy: -82.858
where: short stacking energy: -37.349
Base-Backbone interact. energy: -0.237
local terms energy: -45.813657
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -0.546
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -91.452393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.452393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.452393 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.094
local terms energy: -54.977249
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -79.334656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.334656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.334656 (E_RNA)
where:
Base-Base interactions energy: -28.258
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.287
local terms energy: -50.789643
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -77.042321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.042321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.042321 (E_RNA)
where:
Base-Base interactions energy: -24.838
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.283
local terms energy: -51.921215
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 0.461
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: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -89.012043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012043 (E_RNA)
where:
Base-Base interactions energy: -35.850
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.793
local terms energy: -52.369474
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -8.830
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: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -69.080790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.080790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.080790 (E_RNA)
where:
Base-Base interactions energy: -20.973
where: short stacking energy: -18.326
Base-Backbone interact. energy: -0.524
local terms energy: -47.583461
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -217.172550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.172550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.172550 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.025
local terms energy: -81.303186
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -20.847
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: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -212.692266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.692266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.692266 (E_RNA)
where:
Base-Base interactions energy: -137.186
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.020
local terms energy: -75.486432
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -210.280342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.280342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.280342 (E_RNA)
where:
Base-Base interactions energy: -132.442
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.016
local terms energy: -77.822074
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -184.919896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.919896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.919896 (E_RNA)
where:
Base-Base interactions energy: -126.590
where: short stacking energy: -38.087
Base-Backbone interact. energy: -0.211
local terms energy: -58.118865
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.556
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: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -129.952702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.952702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.952702 (E_RNA)
where:
Base-Base interactions energy: -61.339
where: short stacking energy: -44.418
Base-Backbone interact. energy: -0.124
local terms energy: -68.489253
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -12.366
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: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -86.423170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.423170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.423170 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -32.386
Base-Backbone interact. energy: -0.167
local terms energy: -53.205896
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -5.831
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: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -89.453264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.453264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.453264 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.034
local terms energy: -61.964616
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.251
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: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -81.293877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.293877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.293877 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -26.033
Base-Backbone interact. energy: 0.037
local terms energy: -55.297151
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -75.618425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.618425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.618425 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -23.560
Base-Backbone interact. energy: -0.121
local terms energy: -48.494993
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -76.799853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.799853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.799853 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.223
local terms energy: -44.387244
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: 1.460
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -217.004846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.004846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.004846 (E_RNA)
where:
Base-Base interactions energy: -136.778
where: short stacking energy: -69.707
Base-Backbone interact. energy: -0.419
local terms energy: -79.807660
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -22.096
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -210.026606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.026606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.026606 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.005
local terms energy: -76.169146
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.978
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: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -208.801359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.801359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.801359 (E_RNA)
where:
Base-Base interactions energy: -129.701
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.035
local terms energy: -79.065295
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -173.757841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.757841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.757841 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.394
local terms energy: -60.940234
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -123.097389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.097389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.097389 (E_RNA)
where:
Base-Base interactions energy: -62.094
where: short stacking energy: -44.763
Base-Backbone interact. energy: 1.583
local terms energy: -62.585634
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -11.163
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -103.265580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.265580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.265580 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -33.282
Base-Backbone interact. energy: -0.295
local terms energy: -63.860692
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -83.637775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.637775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.637775 (E_RNA)
where:
Base-Base interactions energy: -43.946
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.431
local terms energy: -39.260732
where:
bonds (distance) C4'-P energy: -5.485
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: 0.154
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: 369
Temperature: 1.250000
Total energy: -79.374238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.374238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.374238 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -27.020
Base-Backbone interact. energy: -0.110
local terms energy: -49.661421
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: 2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -73.064648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.064648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.064648 (E_RNA)
where:
Base-Base interactions energy: -24.808
where: short stacking energy: -23.465
Base-Backbone interact. energy: -0.199
local terms energy: -48.056971
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -74.070650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070650 (E_RNA)
where:
Base-Base interactions energy: -22.190
where: short stacking energy: -22.190
Base-Backbone interact. energy: 1.219
local terms energy: -53.099465
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -219.103424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.103424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.103424 (E_RNA)
where:
Base-Base interactions energy: -136.052
where: short stacking energy: -70.274
Base-Backbone interact. energy: 2.144
local terms energy: -85.195662
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -219.592992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.592992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592992 (E_RNA)
where:
Base-Base interactions energy: -136.053
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.045
local terms energy: -83.495423
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.365
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -210.111330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111330 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.123
local terms energy: -75.360933
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -23.528
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: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -172.815773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.815773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.815773 (E_RNA)
where:
Base-Base interactions energy: -103.026
where: short stacking energy: -51.334
Base-Backbone interact. energy: -0.052
local terms energy: -69.736940
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -106.149650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149650 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.162
local terms energy: -59.309178
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -9.641
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: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -97.651261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.651261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.651261 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.143
local terms energy: -44.297188
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -82.257211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257211 (E_RNA)
where:
Base-Base interactions energy: -38.464
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.091
local terms energy: -43.702190
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -82.162323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.162323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.162323 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -28.387
Base-Backbone interact. energy: 0.828
local terms energy: -54.349896
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.794
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: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -73.819766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.819766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.819766 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -29.774
Base-Backbone interact. energy: 0.781
local terms energy: -40.339355
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -75.764562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.764562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.764562 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -26.736
Base-Backbone interact. energy: -0.093
local terms energy: -45.839905
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -219.808851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.808851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.808851 (E_RNA)
where:
Base-Base interactions energy: -139.832
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.006
local terms energy: -79.971291
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -213.565509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.565509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.565509 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.017
local terms energy: -77.989716
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -199.492783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.492783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.492783 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.082
local terms energy: -69.220928
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -163.304957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.304957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.304957 (E_RNA)
where:
Base-Base interactions energy: -110.346
where: short stacking energy: -42.874
Base-Backbone interact. energy: -1.237
local terms energy: -51.721300
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -7.318
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: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -111.579867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.579867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.579867 (E_RNA)
where:
Base-Base interactions energy: -57.983
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.142
local terms energy: -53.454725
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -82.693099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.693099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.693099 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -32.463
Base-Backbone interact. energy: 0.686
local terms energy: -50.674528
where:
bonds (distance) C4'-P energy: -6.977
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -94.253564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.253564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.253564 (E_RNA)
where:
Base-Base interactions energy: -49.053
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.006
local terms energy: -45.195233
where:
bonds (distance) C4'-P energy: -4.396
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.856594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856594 (E_RNA)
where:
Base-Base interactions energy: -37.472
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.015
local terms energy: -49.369439
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -90.698205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698205 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.033
local terms energy: -52.587824
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.434438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434438 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -31.933
Base-Backbone interact. energy: -0.086
local terms energy: -46.415122
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -223.389300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.389300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.389300 (E_RNA)
where:
Base-Base interactions energy: -141.172
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.015
local terms energy: -82.202213
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -23.681
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: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -215.169970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.169970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169970 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.012
local terms energy: -81.848830
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -12.037
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -203.223697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.223697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.223697 (E_RNA)
where:
Base-Base interactions energy: -127.899
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.070
local terms energy: -75.254482
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -170.681803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.681803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.681803 (E_RNA)
where:
Base-Base interactions energy: -103.453
where: short stacking energy: -47.582
Base-Backbone interact. energy: -0.590
local terms energy: -66.638547
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -18.276
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: 372
Temperature: 1.100000
Total energy: -99.564486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.564486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.564486 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -36.054
Base-Backbone interact. energy: -0.554
local terms energy: -56.914908
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -93.919454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919454 (E_RNA)
where:
Base-Base interactions energy: -38.805
where: short stacking energy: -38.805
Base-Backbone interact. energy: -0.140
local terms energy: -54.974391
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -84.221793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221793 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -22.995
Base-Backbone interact. energy: -0.097
local terms energy: -54.351460
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.523443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.523443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.523443 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.652
local terms energy: -54.457690
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -91.836263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.836263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.836263 (E_RNA)
where:
Base-Base interactions energy: -48.363
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.270
local terms energy: -43.202956
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -71.654961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.654961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.654961 (E_RNA)
where:
Base-Base interactions energy: -24.323
where: short stacking energy: -23.861
Base-Backbone interact. energy: -0.104
local terms energy: -47.228233
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -223.976563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.976563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.976563 (E_RNA)
where:
Base-Base interactions energy: -138.947
where: short stacking energy: -68.668
Base-Backbone interact. energy: -0.028
local terms energy: -85.001779
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.204
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: 373
Temperature: 0.950000
Total energy: -212.948891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948891 (E_RNA)
where:
Base-Base interactions energy: -138.363
where: short stacking energy: -65.199
Base-Backbone interact. energy: 0.834
local terms energy: -75.419564
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -217.426258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.426258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.426258 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.400
local terms energy: -77.578992
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -148.817877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.817877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.817877 (E_RNA)
where:
Base-Base interactions energy: -87.926
where: short stacking energy: -40.599
Base-Backbone interact. energy: -0.098
local terms energy: -60.794294
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -92.070778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.070778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.070778 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -32.986
Base-Backbone interact. energy: 0.132
local terms energy: -58.610701
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -5.119
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -100.100456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.100456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.100456 (E_RNA)
where:
Base-Base interactions energy: -49.866
where: short stacking energy: -36.499
Base-Backbone interact. energy: -0.276
local terms energy: -49.958900
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -85.298037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.298037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.298037 (E_RNA)
where:
Base-Base interactions energy: -32.421
where: short stacking energy: -28.364
Base-Backbone interact. energy: 1.047
local terms energy: -53.923993
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -91.780567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.780567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.780567 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -25.929
Base-Backbone interact. energy: 1.083
local terms energy: -54.514835
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -82.835648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.835648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.835648 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.130
local terms energy: -48.468532
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -3.200
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: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -78.750174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750174 (E_RNA)
where:
Base-Base interactions energy: -29.970
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.070
local terms energy: -48.710133
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -215.426432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.426432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.426432 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.042
local terms energy: -84.677754
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -13.151
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: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -212.246302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.246302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.246302 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -53.813
Base-Backbone interact. energy: -0.107
local terms energy: -79.282078
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -200.681094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.681094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.681094 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -63.103
Base-Backbone interact. energy: 0.578
local terms energy: -71.201812
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -193.745673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.745673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.745673 (E_RNA)
where:
Base-Base interactions energy: -128.579
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.144
local terms energy: -65.022923
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -91.909634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909634 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -27.349
Base-Backbone interact. energy: 0.240
local terms energy: -54.411864
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -106.886674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.886674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.886674 (E_RNA)
where:
Base-Base interactions energy: -52.138
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.019
local terms energy: -54.729564
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -95.379634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.379634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.379634 (E_RNA)
where:
Base-Base interactions energy: -49.066
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.026
local terms energy: -46.287482
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -83.010005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.010005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.010005 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -28.031
Base-Backbone interact. energy: 0.049
local terms energy: -53.129408
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -85.729526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.729526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.729526 (E_RNA)
where:
Base-Base interactions energy: -27.515
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.353
local terms energy: -57.861176
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -4.564
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: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.924204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.924204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.924204 (E_RNA)
where:
Base-Base interactions energy: -29.604
where: short stacking energy: -28.568
Base-Backbone interact. energy: -0.048
local terms energy: -47.272611
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -0.526
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -218.147314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.147314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.147314 (E_RNA)
where:
Base-Base interactions energy: -138.428
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.114
local terms energy: -79.605073
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -216.489972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.489972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.489972 (E_RNA)
where:
Base-Base interactions energy: -132.897
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.011
local terms energy: -83.582093
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -206.961363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.961363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961363 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.067
local terms energy: -79.672008
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -197.995300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.995300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.995300 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -49.438
Base-Backbone interact. energy: -0.901
local terms energy: -74.406834
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -106.599226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599226 (E_RNA)
where:
Base-Base interactions energy: -44.240
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.357
local terms energy: -62.001955
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -106.037352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.037352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.037352 (E_RNA)
where:
Base-Base interactions energy: -54.573
where: short stacking energy: -39.489
Base-Backbone interact. energy: -0.838
local terms energy: -50.625425
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -79.535088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.535088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.535088 (E_RNA)
where:
Base-Base interactions energy: -29.516
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.385
local terms energy: -49.633719
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -7.610
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: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -91.161496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.161496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.161496 (E_RNA)
where:
Base-Base interactions energy: -39.403
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.180
local terms energy: -51.577951
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -83.292002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.292002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.292002 (E_RNA)
where:
Base-Base interactions energy: -35.476
where: short stacking energy: -17.808
Base-Backbone interact. energy: -0.190
local terms energy: -47.625450
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -69.190479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.190479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.190479 (E_RNA)
where:
Base-Base interactions energy: -23.007
where: short stacking energy: -22.099
Base-Backbone interact. energy: -0.003
local terms energy: -46.180929
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: 1.435
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: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -220.640972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640972 (E_RNA)
where:
Base-Base interactions energy: -145.543
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.016
local terms energy: -75.082603
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -212.584202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.584202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.584202 (E_RNA)
where:
Base-Base interactions energy: -137.281
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.426
local terms energy: -74.877170
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -18.992
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -197.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.848862 (E_RNA)
where:
Base-Base interactions energy: -127.664
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.474
local terms energy: -69.710825
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -190.254244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.254244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.254244 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.964
local terms energy: -74.257574
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -13.109
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: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -100.083742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.083742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.083742 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.049
local terms energy: -60.004706
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -13.319
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: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -124.549940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.549940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.549940 (E_RNA)
where:
Base-Base interactions energy: -63.414
where: short stacking energy: -33.209
Base-Backbone interact. energy: -0.262
local terms energy: -60.873635
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -85.535799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.535799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.535799 (E_RNA)
where:
Base-Base interactions energy: -29.291
where: short stacking energy: -27.935
Base-Backbone interact. energy: -0.345
local terms energy: -55.899654
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -91.379349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.379349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.379349 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.162
local terms energy: -57.495431
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.811
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: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -81.974091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974091 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.489
local terms energy: -40.853991
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -2.176
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -72.914262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.914262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.914262 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.252
local terms energy: -45.383750
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: 0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -216.373292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.373292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.373292 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -59.216
Base-Backbone interact. energy: -0.366
local terms energy: -77.686686
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -190.014315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.014315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.014315 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -49.734
Base-Backbone interact. energy: 0.427
local terms energy: -66.451229
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -5.025
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -204.732961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.732961 (E_RNA)
where:
Base-Base interactions energy: -125.078
where: short stacking energy: -58.662
Base-Backbone interact. energy: -1.092
local terms energy: -78.562815
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -198.234073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234073 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.161
local terms energy: -74.366729
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -21.757
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: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -92.785344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785344 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -22.439
Base-Backbone interact. energy: 1.101
local terms energy: -59.292859
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -116.395125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.395125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.395125 (E_RNA)
where:
Base-Base interactions energy: -62.481
where: short stacking energy: -35.122
Base-Backbone interact. energy: 1.812
local terms energy: -55.726332
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -84.719028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.719028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.719028 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -30.359
Base-Backbone interact. energy: -0.172
local terms energy: -52.425017
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -87.598131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598131 (E_RNA)
where:
Base-Base interactions energy: -38.715
where: short stacking energy: -22.292
Base-Backbone interact. energy: 0.328
local terms energy: -49.211343
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: 0.954
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: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -80.164873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.164873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.164873 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.052
local terms energy: -52.519257
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -83.640574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.640574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.640574 (E_RNA)
where:
Base-Base interactions energy: -23.052
where: short stacking energy: -23.052
Base-Backbone interact. energy: -1.185
local terms energy: -59.403748
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -205.448194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.448194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.448194 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.007
local terms energy: -76.227757
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -198.030762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.030762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.030762 (E_RNA)
where:
Base-Base interactions energy: -127.385
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.108
local terms energy: -70.537746
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -205.715651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.715651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.715651 (E_RNA)
where:
Base-Base interactions energy: -129.213
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.098
local terms energy: -76.405144
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -206.373900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.373900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.373900 (E_RNA)
where:
Base-Base interactions energy: -136.108
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.035
local terms energy: -70.230683
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -12.717
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -100.333531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.333531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.333531 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.235
local terms energy: -58.516889
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -93.118058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118058 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.178
local terms energy: -58.476294
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -98.676532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.676532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.676532 (E_RNA)
where:
Base-Base interactions energy: -43.588
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.085
local terms energy: -55.003278
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -7.354
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: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -87.374676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.374676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.374676 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.060
local terms energy: -56.296576
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -78.197536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197536 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.316
local terms energy: -40.929685
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -101.399266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.399266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.399266 (E_RNA)
where:
Base-Base interactions energy: -46.002
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.211
local terms energy: -55.186820
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -207.468855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.468855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.468855 (E_RNA)
where:
Base-Base interactions energy: -128.319
where: short stacking energy: -53.209
Base-Backbone interact. energy: 0.095
local terms energy: -79.244850
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -217.208988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.208988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.208988 (E_RNA)
where:
Base-Base interactions energy: -135.789
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.002
local terms energy: -81.418320
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -205.306901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.306901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.306901 (E_RNA)
where:
Base-Base interactions energy: -131.309
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.020
local terms energy: -73.977814
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -8.173
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -213.972520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.972520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.972520 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.044
local terms energy: -74.345595
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -10.362
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: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -98.736082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.736082 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.018
local terms energy: -54.733660
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -2.532
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -104.227089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.227089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.227089 (E_RNA)
where:
Base-Base interactions energy: -53.554
where: short stacking energy: -35.806
Base-Backbone interact. energy: -0.405
local terms energy: -50.267973
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -94.410933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410933 (E_RNA)
where:
Base-Base interactions energy: -44.659
where: short stacking energy: -37.939
Base-Backbone interact. energy: -0.269
local terms energy: -49.482916
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -0.602
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -83.906307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.906307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.906307 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.071
local terms energy: -48.996802
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -79.840858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.840858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.840858 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.350
local terms energy: -47.034793
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -88.411710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411710 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.479
local terms energy: -56.217664
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -3.038
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: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -213.309076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.309076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309076 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.111
local terms energy: -83.001440
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -20.493
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: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -197.862690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.862690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.862690 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -53.762
Base-Backbone interact. energy: -1.504
local terms energy: -64.951799
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -206.013461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013461 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.386
local terms energy: -70.300521
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -193.986597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986597 (E_RNA)
where:
Base-Base interactions energy: -118.406
where: short stacking energy: -57.042
Base-Backbone interact. energy: 1.198
local terms energy: -76.777855
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -164.472857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.472857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.472857 (E_RNA)
where:
Base-Base interactions energy: -94.243
where: short stacking energy: -40.574
Base-Backbone interact. energy: -0.001
local terms energy: -70.228462
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.683
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: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -92.538474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.538474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.538474 (E_RNA)
where:
Base-Base interactions energy: -38.034
where: short stacking energy: -24.169
Base-Backbone interact. energy: 1.799
local terms energy: -56.303269
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -91.350506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350506 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -33.634
Base-Backbone interact. energy: 0.984
local terms energy: -58.700766
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -85.066566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066566 (E_RNA)
where:
Base-Base interactions energy: -40.489
where: short stacking energy: -21.852
Base-Backbone interact. energy: -0.122
local terms energy: -44.455742
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -4.735
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -81.240006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240006 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.068
local terms energy: -51.769324
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -92.989818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989818 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -29.297
Base-Backbone interact. energy: 0.721
local terms energy: -60.043033
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -222.906841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.906841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.906841 (E_RNA)
where:
Base-Base interactions energy: -140.726
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.025
local terms energy: -82.156038
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -24.203
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: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -216.615639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.615639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.615639 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.003
local terms energy: -83.343226
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -23.844
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: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -197.032555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.032555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.032555 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -55.682
Base-Backbone interact. energy: 0.593
local terms energy: -72.217110
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -174.837542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.837542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.837542 (E_RNA)
where:
Base-Base interactions energy: -105.119
where: short stacking energy: -46.904
Base-Backbone interact. energy: -0.083
local terms energy: -69.635448
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -168.193321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.193321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.193321 (E_RNA)
where:
Base-Base interactions energy: -101.474
where: short stacking energy: -45.381
Base-Backbone interact. energy: -0.177
local terms energy: -66.542424
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -10.980
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: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -89.176625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.176625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.176625 (E_RNA)
where:
Base-Base interactions energy: -32.023
where: short stacking energy: -26.666
Base-Backbone interact. energy: -0.918
local terms energy: -56.235340
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -92.351891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.351891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.351891 (E_RNA)
where:
Base-Base interactions energy: -44.868
where: short stacking energy: -36.982
Base-Backbone interact. energy: 0.617
local terms energy: -48.100250
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -85.181064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.181064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.181064 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.072
local terms energy: -52.626890
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -89.439112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439112 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -38.315
Base-Backbone interact. energy: 0.204
local terms energy: -51.327825
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -69.262172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.262172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.262172 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -19.054
Base-Backbone interact. energy: -0.638
local terms energy: -40.378339
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -0.198
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -219.875472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.875472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.875472 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.019
local terms energy: -80.509272
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -214.847186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847186 (E_RNA)
where:
Base-Base interactions energy: -134.305
where: short stacking energy: -65.715
Base-Backbone interact. energy: -0.379
local terms energy: -80.163437
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -175.982103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.982103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.982103 (E_RNA)
where:
Base-Base interactions energy: -100.562
where: short stacking energy: -50.929
Base-Backbone interact. energy: -0.060
local terms energy: -75.360223
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.058
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: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -198.251967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251967 (E_RNA)
where:
Base-Base interactions energy: -128.408
where: short stacking energy: -56.136
Base-Backbone interact. energy: 0.705
local terms energy: -70.548891
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -177.354558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.354558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.354558 (E_RNA)
where:
Base-Base interactions energy: -108.006
where: short stacking energy: -46.203
Base-Backbone interact. energy: -0.049
local terms energy: -69.300012
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -85.340529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340529 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -19.372
Base-Backbone interact. energy: -0.145
local terms energy: -50.130833
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -89.910430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.910430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.910430 (E_RNA)
where:
Base-Base interactions energy: -41.591
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.144
local terms energy: -48.175709
where:
bonds (distance) C4'-P energy: -6.037
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.399
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: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -92.577117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.577117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.577117 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.077
local terms energy: -49.011052
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -87.041159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041159 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -21.676
Base-Backbone interact. energy: -1.358
local terms energy: -59.061105
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.377
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: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -65.985480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.985480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.985480 (E_RNA)
where:
Base-Base interactions energy: -24.531
where: short stacking energy: -14.284
Base-Backbone interact. energy: -0.154
local terms energy: -41.300323
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -3.715
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -220.065835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065835 (E_RNA)
where:
Base-Base interactions energy: -139.699
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.033
local terms energy: -80.334308
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -24.532
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: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -212.336214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336214 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.093
local terms energy: -74.854668
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -176.917022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.917022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.917022 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.098
local terms energy: -67.910342
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -189.336090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.336090 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -49.706
Base-Backbone interact. energy: -0.221
local terms energy: -67.498087
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -16.033
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: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -188.050631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.050631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.050631 (E_RNA)
where:
Base-Base interactions energy: -116.425
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.004
local terms energy: -71.622249
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -91.761035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761035 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -31.780
Base-Backbone interact. energy: -0.003
local terms energy: -59.977538
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -10.952
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: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -103.752315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.752315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.752315 (E_RNA)
where:
Base-Base interactions energy: -56.566
where: short stacking energy: -21.251
Base-Backbone interact. energy: -0.901
local terms energy: -46.286158
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -94.882597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.882597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.882597 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -29.591
Base-Backbone interact. energy: 0.173
local terms energy: -46.251692
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -74.924992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.924992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.924992 (E_RNA)
where:
Base-Base interactions energy: -28.076
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.092
local terms energy: -46.756511
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: 2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -74.508677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.508677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.508677 (E_RNA)
where:
Base-Base interactions energy: -20.494
where: short stacking energy: -14.409
Base-Backbone interact. energy: -0.345
local terms energy: -53.669742
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -223.731361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.731361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.731361 (E_RNA)
where:
Base-Base interactions energy: -140.830
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.021
local terms energy: -82.880529
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -213.448756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.448756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.448756 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.232
local terms energy: -76.293872
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -23.836
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -189.988760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.988760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.988760 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.184
local terms energy: -72.093044
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.042
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: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -164.818070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.818070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.818070 (E_RNA)
where:
Base-Base interactions energy: -100.402
where: short stacking energy: -43.215
Base-Backbone interact. energy: -1.071
local terms energy: -63.345613
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.015
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: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -164.285437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.285437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.285437 (E_RNA)
where:
Base-Base interactions energy: -97.073
where: short stacking energy: -54.341
Base-Backbone interact. energy: -0.745
local terms energy: -66.467390
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -10.974
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: 384
Temperature: 1.150000
Total energy: -97.023557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.023557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.023557 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.070
local terms energy: -63.231341
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -102.665743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.665743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.665743 (E_RNA)
where:
Base-Base interactions energy: -53.402
where: short stacking energy: -22.067
Base-Backbone interact. energy: 0.308
local terms energy: -49.572240
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -92.198713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198713 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -34.909
Base-Backbone interact. energy: 0.047
local terms energy: -57.306442
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -85.771808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.771808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.771808 (E_RNA)
where:
Base-Base interactions energy: -33.844
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.165
local terms energy: -51.763273
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -81.770838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770838 (E_RNA)
where:
Base-Base interactions energy: -27.360
where: short stacking energy: -27.360
Base-Backbone interact. energy: 0.321
local terms energy: -54.732161
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -216.722995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.722995 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.018
local terms energy: -79.202226
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -213.676696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.676696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.676696 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.423
local terms energy: -75.140763
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -10.746
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: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -188.968881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.968881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.968881 (E_RNA)
where:
Base-Base interactions energy: -123.342
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.028
local terms energy: -65.598977
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.009
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: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -167.243985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.243985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.243985 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -59.212
Base-Backbone interact. energy: -0.372
local terms energy: -56.590994
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.863
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: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -167.168555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.168555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.168555 (E_RNA)
where:
Base-Base interactions energy: -101.857
where: short stacking energy: -45.340
Base-Backbone interact. energy: 0.066
local terms energy: -65.377835
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.065
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: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -145.647500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.647500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.647500 (E_RNA)
where:
Base-Base interactions energy: -85.471
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.259
local terms energy: -59.917520
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -80.477546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.477546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.477546 (E_RNA)
where:
Base-Base interactions energy: -28.182
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.888
local terms energy: -51.407782
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -1.270
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: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -85.623589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.623589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.623589 (E_RNA)
where:
Base-Base interactions energy: -27.886
where: short stacking energy: -25.024
Base-Backbone interact. energy: 0.538
local terms energy: -58.274862
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -76.925577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.925577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.925577 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -16.883
Base-Backbone interact. energy: 0.883
local terms energy: -48.493293
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -71.734086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.734086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.734086 (E_RNA)
where:
Base-Base interactions energy: -17.784
where: short stacking energy: -17.784
Base-Backbone interact. energy: -0.014
local terms energy: -53.935793
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -218.490364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.490364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490364 (E_RNA)
where:
Base-Base interactions energy: -139.762
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.050
local terms energy: -78.678151
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -11.286
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: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -206.445588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.445588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.445588 (E_RNA)
where:
Base-Base interactions energy: -137.233
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.078
local terms energy: -69.134565
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -199.876448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.876448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876448 (E_RNA)
where:
Base-Base interactions energy: -127.933
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.002
local terms energy: -71.941320
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.846
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: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -159.540115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.540115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.540115 (E_RNA)
where:
Base-Base interactions energy: -92.193
where: short stacking energy: -43.054
Base-Backbone interact. energy: -0.030
local terms energy: -67.316970
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.960
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -174.263026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.263026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.263026 (E_RNA)
where:
Base-Base interactions energy: -102.208
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.069
local terms energy: -71.985677
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -158.392556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.392556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.392556 (E_RNA)
where:
Base-Base interactions energy: -91.259
where: short stacking energy: -46.719
Base-Backbone interact. energy: -0.268
local terms energy: -66.865533
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -11.250
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: 386
Temperature: 1.200000
Total energy: -87.746859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.746859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.746859 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -20.148
Base-Backbone interact. energy: -1.150
local terms energy: -56.529278
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -6.649
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: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -108.978790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.978790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.978790 (E_RNA)
where:
Base-Base interactions energy: -57.238
where: short stacking energy: -23.241
Base-Backbone interact. energy: 0.753
local terms energy: -52.493943
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -75.777380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.777380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.777380 (E_RNA)
where:
Base-Base interactions energy: -22.392
where: short stacking energy: -21.488
Base-Backbone interact. energy: -0.422
local terms energy: -52.963271
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -70.292322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.292322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.292322 (E_RNA)
where:
Base-Base interactions energy: -20.686
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.451
local terms energy: -49.155468
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -221.549233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.549233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.549233 (E_RNA)
where:
Base-Base interactions energy: -140.025
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.019
local terms energy: -81.505397
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.439
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -221.014640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014640 (E_RNA)
where:
Base-Base interactions energy: -141.414
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.215
local terms energy: -79.385611
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -23.069
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: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -189.373159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.373159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.373159 (E_RNA)
where:
Base-Base interactions energy: -117.580
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.072
local terms energy: -71.720639
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -168.420623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.420623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.420623 (E_RNA)
where:
Base-Base interactions energy: -105.338
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.058
local terms energy: -63.024184
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -180.127532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.127532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.127532 (E_RNA)
where:
Base-Base interactions energy: -114.140
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.398
local terms energy: -65.590141
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -154.389113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.389113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.389113 (E_RNA)
where:
Base-Base interactions energy: -89.578
where: short stacking energy: -48.101
Base-Backbone interact. energy: 0.529
local terms energy: -65.341057
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -10.943
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: 387
Temperature: 1.200000
Total energy: -87.118472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.118472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.118472 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -33.255
Base-Backbone interact. energy: 0.040
local terms energy: -52.207479
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -116.560493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.560493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.560493 (E_RNA)
where:
Base-Base interactions energy: -61.230
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.373
local terms energy: -54.957847
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -77.721685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.721685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.721685 (E_RNA)
where:
Base-Base interactions energy: -26.645
where: short stacking energy: -26.645
Base-Backbone interact. energy: 0.565
local terms energy: -51.642449
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -6.928
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: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -73.433951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.433951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.433951 (E_RNA)
where:
Base-Base interactions energy: -21.147
where: short stacking energy: -20.027
Base-Backbone interact. energy: -0.020
local terms energy: -52.266747
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -217.787012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.787012 (E_RNA)
where:
Base-Base interactions energy: -134.994
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.479
local terms energy: -82.314120
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -20.550
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -213.587485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.587485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.587485 (E_RNA)
where:
Base-Base interactions energy: -134.667
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.000
local terms energy: -78.919945
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -181.451671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.451671 (E_RNA)
where:
Base-Base interactions energy: -112.920
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.664
local terms energy: -67.868002
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -176.223637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.223637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.223637 (E_RNA)
where:
Base-Base interactions energy: -102.969
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.007
local terms energy: -73.247237
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -13.181
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: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -156.863091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.863091 (E_RNA)
where:
Base-Base interactions energy: -98.725
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.158
local terms energy: -57.979615
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -137.327220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.327220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.327220 (E_RNA)
where:
Base-Base interactions energy: -79.770
where: short stacking energy: -31.915
Base-Backbone interact. energy: -0.023
local terms energy: -57.533802
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.897
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: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -86.336982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.336982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.336982 (E_RNA)
where:
Base-Base interactions energy: -28.359
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.074
local terms energy: -57.904420
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -9.349
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -84.854024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854024 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -32.106
Base-Backbone interact. energy: -0.011
local terms energy: -52.736934
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -86.460949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.460949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.460949 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.006
local terms energy: -48.419726
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -8.181
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.355686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.355686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.355686 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.472
local terms energy: -46.929129
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -217.718778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.718778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718778 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.014
local terms energy: -79.073275
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -23.810
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: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -218.745168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.745168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.745168 (E_RNA)
where:
Base-Base interactions energy: -138.710
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.015
local terms energy: -80.019935
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -181.615373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.615373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.615373 (E_RNA)
where:
Base-Base interactions energy: -115.784
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.108
local terms energy: -65.723215
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -8.590
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: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -160.353876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.353876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.353876 (E_RNA)
where:
Base-Base interactions energy: -101.081
where: short stacking energy: -47.920
Base-Backbone interact. energy: 0.031
local terms energy: -59.303416
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -8.347
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: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -144.906403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.906403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.906403 (E_RNA)
where:
Base-Base interactions energy: -80.736
where: short stacking energy: -44.897
Base-Backbone interact. energy: -0.231
local terms energy: -63.939279
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.909
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: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -144.943211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.943211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.943211 (E_RNA)
where:
Base-Base interactions energy: -80.455
where: short stacking energy: -36.009
Base-Backbone interact. energy: -0.020
local terms energy: -64.468899
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -87.681257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681257 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -25.082
Base-Backbone interact. energy: -0.148
local terms energy: -55.901404
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -76.707248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.707248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.707248 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -25.531
Base-Backbone interact. energy: -1.390
local terms energy: -49.786555
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -78.572411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572411 (E_RNA)
where:
Base-Base interactions energy: -35.500
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.160
local terms energy: -42.912602
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -4.159
flat angles P-C4'-P energy: -7.493
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: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -82.897350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.897350 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.110
local terms energy: -43.143439
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: 0.178
tors. eta vs tors. theta energy: -4.130
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: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -220.186528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186528 (E_RNA)
where:
Base-Base interactions energy: -140.074
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.540
local terms energy: -79.572952
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -22.231
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -213.802782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.802782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.802782 (E_RNA)
where:
Base-Base interactions energy: -132.053
where: short stacking energy: -59.723
Base-Backbone interact. energy: -0.678
local terms energy: -81.072228
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -182.145706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.145706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.145706 (E_RNA)
where:
Base-Base interactions energy: -116.419
where: short stacking energy: -46.247
Base-Backbone interact. energy: 0.177
local terms energy: -65.904148
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -155.548253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.548253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.548253 (E_RNA)
where:
Base-Base interactions energy: -89.662
where: short stacking energy: -42.421
Base-Backbone interact. energy: -0.019
local terms energy: -65.866937
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -155.969531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.969531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.969531 (E_RNA)
where:
Base-Base interactions energy: -94.223
where: short stacking energy: -41.260
Base-Backbone interact. energy: -0.012
local terms energy: -61.734362
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -4.669
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -127.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.968312 (E_RNA)
where:
Base-Base interactions energy: -76.969
where: short stacking energy: -38.369
Base-Backbone interact. energy: 0.862
local terms energy: -51.861131
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -6.897
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: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -95.041598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.041598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.041598 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.149
local terms energy: -54.659954
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -81.170748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.170748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.170748 (E_RNA)
where:
Base-Base interactions energy: -31.771
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.152
local terms energy: -49.247736
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -8.185
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: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -77.484134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484134 (E_RNA)
where:
Base-Base interactions energy: -25.610
where: short stacking energy: -25.610
Base-Backbone interact. energy: -0.129
local terms energy: -51.745763
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -0.750
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: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -78.902778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.902778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.902778 (E_RNA)
where:
Base-Base interactions energy: -33.814
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.847
local terms energy: -44.241826
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -218.960088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.960088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.960088 (E_RNA)
where:
Base-Base interactions energy: -136.582
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.578
local terms energy: -81.799710
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -205.372176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.372176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.372176 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.011
local terms energy: -74.467017
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -10.094
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: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -169.219764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.219764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.219764 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.588
local terms energy: -66.844459
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -12.092
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: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -164.842040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.842040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.842040 (E_RNA)
where:
Base-Base interactions energy: -100.707
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.626
local terms energy: -63.508768
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -5.010
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: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -171.498789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.498789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.498789 (E_RNA)
where:
Base-Base interactions energy: -105.728
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.012
local terms energy: -65.758652
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -134.195000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.195000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.195000 (E_RNA)
where:
Base-Base interactions energy: -78.263
where: short stacking energy: -26.268
Base-Backbone interact. energy: -0.544
local terms energy: -55.388136
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -101.381865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.381865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.381865 (E_RNA)
where:
Base-Base interactions energy: -49.948
where: short stacking energy: -41.647
Base-Backbone interact. energy: -0.025
local terms energy: -51.409528
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -75.375468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.375468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.375468 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -27.943
Base-Backbone interact. energy: -0.068
local terms energy: -47.355319
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -74.522434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.522434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.522434 (E_RNA)
where:
Base-Base interactions energy: -23.670
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.844
local terms energy: -50.008402
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -71.814994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.814994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.814994 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.574
local terms energy: -38.606283
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -216.189724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.189724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.189724 (E_RNA)
where:
Base-Base interactions energy: -134.957
where: short stacking energy: -59.855
Base-Backbone interact. energy: -1.029
local terms energy: -80.204142
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -12.247
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: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -217.169171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.169171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.169171 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -66.631
Base-Backbone interact. energy: -0.006
local terms energy: -78.077296
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -160.183887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.183887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.183887 (E_RNA)
where:
Base-Base interactions energy: -99.940
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.013
local terms energy: -60.231829
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -11.955
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: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -166.609437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.609437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.609437 (E_RNA)
where:
Base-Base interactions energy: -107.867
where: short stacking energy: -39.513
Base-Backbone interact. energy: -0.335
local terms energy: -58.407994
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -151.997762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.997762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.997762 (E_RNA)
where:
Base-Base interactions energy: -88.260
where: short stacking energy: -34.411
Base-Backbone interact. energy: -1.312
local terms energy: -62.426366
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -144.698156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.698156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.698156 (E_RNA)
where:
Base-Base interactions energy: -87.638
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.046
local terms energy: -57.013359
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -8.631
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -81.488589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488589 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -28.004
Base-Backbone interact. energy: -0.081
local terms energy: -53.403329
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -9.775
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: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -78.280754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280754 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -25.492
Base-Backbone interact. energy: -0.154
local terms energy: -52.635020
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -83.584138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.584138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.584138 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.194
local terms energy: -49.533272
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: 1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -72.565306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.565306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.565306 (E_RNA)
where:
Base-Base interactions energy: -25.348
where: short stacking energy: -25.225
Base-Backbone interact. energy: -0.044
local terms energy: -47.173250
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -219.119947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119947 (E_RNA)
where:
Base-Base interactions energy: -138.934
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.006
local terms energy: -80.179933
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -212.212781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.212781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.212781 (E_RNA)
where:
Base-Base interactions energy: -147.038
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.030
local terms energy: -65.144332
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -170.086430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.086430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.086430 (E_RNA)
where:
Base-Base interactions energy: -103.482
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.203
local terms energy: -66.401476
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.149
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: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -165.022074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.022074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.022074 (E_RNA)
where:
Base-Base interactions energy: -106.436
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.033
local terms energy: -58.552924
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -9.094
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: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -190.322054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.322054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.322054 (E_RNA)
where:
Base-Base interactions energy: -117.263
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.025
local terms energy: -73.034176
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -140.276731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.276731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.276731 (E_RNA)
where:
Base-Base interactions energy: -77.990
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.159
local terms energy: -62.127566
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -9.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -99.838571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.838571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.838571 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -28.402
Base-Backbone interact. energy: 0.219
local terms energy: -50.870659
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -1.756
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: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -79.652701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.652701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.652701 (E_RNA)
where:
Base-Base interactions energy: -47.324
where: short stacking energy: -40.066
Base-Backbone interact. energy: -0.134
local terms energy: -32.194354
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -6.767
flat angles C4'-P-C4' energy: -5.632
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -78.114895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.114895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.114895 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.544
local terms energy: -48.496183
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: 3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -74.168529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.168529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.168529 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -24.331
Base-Backbone interact. energy: -0.164
local terms energy: -43.190513
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -4.558
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -222.616548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.616548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.616548 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -68.393
Base-Backbone interact. energy: 1.932
local terms energy: -82.412925
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -211.681665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.681665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.681665 (E_RNA)
where:
Base-Base interactions energy: -135.495
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.002
local terms energy: -76.184853
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -11.548
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: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -173.176652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.176652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.176652 (E_RNA)
where:
Base-Base interactions energy: -104.056
where: short stacking energy: -56.427
Base-Backbone interact. energy: 0.117
local terms energy: -69.237994
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -166.873110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.873110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.873110 (E_RNA)
where:
Base-Base interactions energy: -104.411
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.683
local terms energy: -61.779992
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -164.482488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.482488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.482488 (E_RNA)
where:
Base-Base interactions energy: -101.048
where: short stacking energy: -52.033
Base-Backbone interact. energy: -0.004
local terms energy: -63.430395
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -159.589313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.589313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589313 (E_RNA)
where:
Base-Base interactions energy: -91.651
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.099
local terms energy: -67.839243
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -12.155
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: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -90.310635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310635 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -32.331
Base-Backbone interact. energy: -0.129
local terms energy: -52.266597
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -4.247
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: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -99.755591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.755591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.755591 (E_RNA)
where:
Base-Base interactions energy: -40.681
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.353
local terms energy: -58.721437
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -106.763455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.763455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.763455 (E_RNA)
where:
Base-Base interactions energy: -54.376
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.181
local terms energy: -52.206364
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -75.655899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.655899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.655899 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -24.794
Base-Backbone interact. energy: -1.253
local terms energy: -39.335993
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -226.193153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.193153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.193153 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.057
local terms energy: -83.188148
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -215.230244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.230244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.230244 (E_RNA)
where:
Base-Base interactions energy: -140.628
where: short stacking energy: -63.390
Base-Backbone interact. energy: 0.306
local terms energy: -74.908340
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -19.166
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: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -168.317135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.317135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.317135 (E_RNA)
where:
Base-Base interactions energy: -100.901
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.031
local terms energy: -67.384897
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.914
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: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -186.384265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.384265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.384265 (E_RNA)
where:
Base-Base interactions energy: -106.724
where: short stacking energy: -48.474
Base-Backbone interact. energy: -0.021
local terms energy: -79.639514
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.221
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: 395
Temperature: 1.100000
Total energy: -183.344893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.344893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.344893 (E_RNA)
where:
Base-Base interactions energy: -117.728
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.010
local terms energy: -65.606458
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -15.360
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -165.352415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.352415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.352415 (E_RNA)
where:
Base-Base interactions energy: -97.469
where: short stacking energy: -44.766
Base-Backbone interact. energy: -1.222
local terms energy: -66.661354
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -8.590
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: 395
Temperature: 1.200000
Total energy: -100.593634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.593634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.593634 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.232
local terms energy: -56.344496
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.332
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: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -75.888708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.888708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.888708 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.236
local terms energy: -48.185742
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -85.364869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.364869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.364869 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -28.784
Base-Backbone interact. energy: -0.010
local terms energy: -56.570402
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -12.520
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: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -75.471895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.471895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.471895 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.154
local terms energy: -35.026779
where:
bonds (distance) C4'-P energy: -7.114
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -217.195183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.195183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.195183 (E_RNA)
where:
Base-Base interactions energy: -139.459
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.029
local terms energy: -77.707696
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -213.477976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.477976 (E_RNA)
where:
Base-Base interactions energy: -137.118
where: short stacking energy: -69.216
Base-Backbone interact. energy: 1.192
local terms energy: -77.551654
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -178.707342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.707342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.707342 (E_RNA)
where:
Base-Base interactions energy: -111.529
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.025
local terms energy: -67.153305
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.444
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: 396
Temperature: 1.050000
Total energy: -173.212606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.212606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.212606 (E_RNA)
where:
Base-Base interactions energy: -104.767
where: short stacking energy: -51.721
Base-Backbone interact. energy: -0.181
local terms energy: -68.264383
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -191.397276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.397276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.397276 (E_RNA)
where:
Base-Base interactions energy: -119.535
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.005
local terms energy: -71.857570
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.344
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -129.994450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.994450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.994450 (E_RNA)
where:
Base-Base interactions energy: -72.074
where: short stacking energy: -28.719
Base-Backbone interact. energy: -0.588
local terms energy: -57.331744
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -101.178816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.178816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.178816 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -22.683
Base-Backbone interact. energy: -0.121
local terms energy: -58.291476
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -78.950638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950638 (E_RNA)
where:
Base-Base interactions energy: -23.129
where: short stacking energy: -15.345
Base-Backbone interact. energy: -0.333
local terms energy: -55.488159
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -109.533095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.533095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.533095 (E_RNA)
where:
Base-Base interactions energy: -56.717
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.101
local terms energy: -52.714767
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -70.662788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.662788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.662788 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -16.215
Base-Backbone interact. energy: 0.112
local terms energy: -43.927845
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: 2.145
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: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -220.830571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.830571 (E_RNA)
where:
Base-Base interactions energy: -138.423
where: short stacking energy: -69.792
Base-Backbone interact. energy: -0.164
local terms energy: -82.242986
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -21.575
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: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -211.356942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.356942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.356942 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -65.700
Base-Backbone interact. energy: -0.020
local terms energy: -73.076660
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.462
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: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -180.489929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.489929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.489929 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.103
local terms energy: -70.932143
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -199.823371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.823371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.823371 (E_RNA)
where:
Base-Base interactions energy: -122.872
where: short stacking energy: -59.376
Base-Backbone interact. energy: -0.169
local terms energy: -76.782926
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.682
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: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -159.214279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.214279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.214279 (E_RNA)
where:
Base-Base interactions energy: -97.661
where: short stacking energy: -37.268
Base-Backbone interact. energy: 0.203
local terms energy: -61.756197
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -158.172069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.172069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.172069 (E_RNA)
where:
Base-Base interactions energy: -98.090
where: short stacking energy: -44.002
Base-Backbone interact. energy: -0.043
local terms energy: -60.038869
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -9.572
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: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -103.068149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.068149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.068149 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -27.123
Base-Backbone interact. energy: -0.234
local terms energy: -60.250864
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -83.433190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.433190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.433190 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.316
local terms energy: -49.137033
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -73.171030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.171030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.171030 (E_RNA)
where:
Base-Base interactions energy: -22.386
where: short stacking energy: -22.386
Base-Backbone interact. energy: 1.100
local terms energy: -51.885346
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -1.841
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: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -74.533320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.533320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.533320 (E_RNA)
where:
Base-Base interactions energy: -21.946
where: short stacking energy: -20.223
Base-Backbone interact. energy: -0.169
local terms energy: -52.418697
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -13.274
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: 398
Temperature: 0.900000
Total energy: -220.928984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.928984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.928984 (E_RNA)
where:
Base-Base interactions energy: -139.439
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.044
local terms energy: -81.446093
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -208.797340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.797340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.797340 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.032
local terms energy: -75.020374
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.354
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: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -217.787610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.787610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.787610 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.810
local terms energy: -78.913419
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -186.705955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.705955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.705955 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -51.504
Base-Backbone interact. energy: 0.109
local terms energy: -62.892020
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -9.229
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: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -160.315006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.315006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.315006 (E_RNA)
where:
Base-Base interactions energy: -94.041
where: short stacking energy: -43.389
Base-Backbone interact. energy: -0.845
local terms energy: -65.429470
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -157.646732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.646732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.646732 (E_RNA)
where:
Base-Base interactions energy: -96.754
where: short stacking energy: -40.156
Base-Backbone interact. energy: -0.094
local terms energy: -60.798952
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -86.177919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.177919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.177919 (E_RNA)
where:
Base-Base interactions energy: -26.966
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.308
local terms energy: -58.903975
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -83.883194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883194 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.802
local terms energy: -54.098514
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -76.291377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.291377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.291377 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.108
local terms energy: -47.971366
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -72.720564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.720564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.720564 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.056
local terms energy: -43.577867
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -220.710996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710996 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -71.708
Base-Backbone interact. energy: 0.473
local terms energy: -78.461170
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -23.383
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: 399
Temperature: 0.950000
Total energy: -211.069690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.069690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.069690 (E_RNA)
where:
Base-Base interactions energy: -136.438
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.057
local terms energy: -74.574841
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -11.162
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: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -211.656675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.656675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.656675 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -62.028
Base-Backbone interact. energy: -0.011
local terms energy: -81.507611
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -178.009863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.009863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.009863 (E_RNA)
where:
Base-Base interactions energy: -119.682
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.097
local terms energy: -58.230697
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -159.544740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.544740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.544740 (E_RNA)
where:
Base-Base interactions energy: -95.238
where: short stacking energy: -39.557
Base-Backbone interact. energy: -0.093
local terms energy: -64.213930
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -11.993
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: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -153.299579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.299579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.299579 (E_RNA)
where:
Base-Base interactions energy: -90.415
where: short stacking energy: -43.161
Base-Backbone interact. energy: -0.052
local terms energy: -62.831934
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -78.750135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750135 (E_RNA)
where:
Base-Base interactions energy: -27.044
where: short stacking energy: -24.092
Base-Backbone interact. energy: -0.960
local terms energy: -50.745943
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -84.798965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.798965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.798965 (E_RNA)
where:
Base-Base interactions energy: -29.568
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.094
local terms energy: -55.137269
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -85.818908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.818908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.818908 (E_RNA)
where:
Base-Base interactions energy: -31.700
where: short stacking energy: -31.637
Base-Backbone interact. energy: 0.904
local terms energy: -55.022853
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -80.238620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238620 (E_RNA)
where:
Base-Base interactions energy: -27.381
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.059
local terms energy: -52.799004
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -231.360674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.360674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.360674 (E_RNA)
where:
Base-Base interactions energy: -143.678
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.093
local terms energy: -87.590248
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -215.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.322579 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.017
local terms energy: -78.382217
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.469
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: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -203.726453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726453 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.020
local terms energy: -76.700132
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.294
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -161.678533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.678533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.678533 (E_RNA)
where:
Base-Base interactions energy: -104.656
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.100
local terms energy: -56.922333
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -160.397388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.397388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.397388 (E_RNA)
where:
Base-Base interactions energy: -95.483
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.692
local terms energy: -64.221887
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -155.173035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.173035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.173035 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.043
local terms energy: -62.866570
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -86.048509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048509 (E_RNA)
where:
Base-Base interactions energy: -38.800
where: short stacking energy: -36.617
Base-Backbone interact. energy: -0.194
local terms energy: -47.054604
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -8.972
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -81.712849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.712849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.712849 (E_RNA)
where:
Base-Base interactions energy: -20.315
where: short stacking energy: -20.515
Base-Backbone interact. energy: -0.155
local terms energy: -61.242693
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -77.709744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.709744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.709744 (E_RNA)
where:
Base-Base interactions energy: -22.564
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.154
local terms energy: -54.991692
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -2.260
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: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -79.437899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.437899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.437899 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.202
local terms energy: -43.276278
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -218.599925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.599925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.599925 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.116
local terms energy: -80.056868
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -214.701187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.701187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.701187 (E_RNA)
where:
Base-Base interactions energy: -133.370
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.008
local terms energy: -81.323333
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -204.171056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.171056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.171056 (E_RNA)
where:
Base-Base interactions energy: -129.890
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.020
local terms energy: -74.261363
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.405
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: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -200.882236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.882236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.882236 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -54.274
Base-Backbone interact. energy: -1.124
local terms energy: -69.348224
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.365
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -160.624007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.624007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.624007 (E_RNA)
where:
Base-Base interactions energy: -92.669
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.107
local terms energy: -67.848032
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.224
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: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -146.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.506583 (E_RNA)
where:
Base-Base interactions energy: -86.129
where: short stacking energy: -37.578
Base-Backbone interact. energy: -0.544
local terms energy: -59.834224
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -79.216137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216137 (E_RNA)
where:
Base-Base interactions energy: -27.191
where: short stacking energy: -27.191
Base-Backbone interact. energy: 1.315
local terms energy: -53.340134
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -5.130
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: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -80.406755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.406755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.406755 (E_RNA)
where:
Base-Base interactions energy: -27.110
where: short stacking energy: -22.421
Base-Backbone interact. energy: -0.920
local terms energy: -52.376886
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -74.700616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.700616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.700616 (E_RNA)
where:
Base-Base interactions energy: -20.381
where: short stacking energy: -20.381
Base-Backbone interact. energy: -0.288
local terms energy: -54.031340
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -1.848
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: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -72.270734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.270734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.270734 (E_RNA)
where:
Base-Base interactions energy: -20.041
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.343
local terms energy: -51.885812
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -216.453072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.453072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453072 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.333
local terms energy: -80.432808
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -11.142
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: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -208.734139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.734139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.734139 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.029
local terms energy: -78.175565
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -206.266526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.266526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.266526 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.102
local terms energy: -74.859361
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -11.729
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: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -205.982593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.982593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.982593 (E_RNA)
where:
Base-Base interactions energy: -134.847
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.024
local terms energy: -71.111639
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -153.992201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.992201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.992201 (E_RNA)
where:
Base-Base interactions energy: -91.451
where: short stacking energy: -42.335
Base-Backbone interact. energy: -0.009
local terms energy: -62.532410
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -5.460
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: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -145.570492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.570492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.570492 (E_RNA)
where:
Base-Base interactions energy: -89.839
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.353
local terms energy: -55.378259
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -88.649134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649134 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.103
local terms energy: -59.992690
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -83.644326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644326 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -23.551
Base-Backbone interact. energy: 0.503
local terms energy: -58.227777
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -80.845387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.845387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.845387 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -23.415
Base-Backbone interact. energy: -0.238
local terms energy: -49.618506
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -71.826693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.826693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.826693 (E_RNA)
where:
Base-Base interactions energy: -21.188
where: short stacking energy: -18.673
Base-Backbone interact. energy: -0.197
local terms energy: -50.441527
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -8.716
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: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -223.895635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.895635 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -62.234
Base-Backbone interact. energy: 0.087
local terms energy: -84.367031
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -208.492819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.492819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.492819 (E_RNA)
where:
Base-Base interactions energy: -136.214
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.049
local terms energy: -72.229606
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -214.898673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.898673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.898673 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.041
local terms energy: -75.634995
where:
bonds (distance) C4'-P energy: -7.412
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -23.746
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -193.552080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.552080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.552080 (E_RNA)
where:
Base-Base interactions energy: -123.724
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.064
local terms energy: -69.764494
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -158.455492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.455492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.455492 (E_RNA)
where:
Base-Base interactions energy: -103.746
where: short stacking energy: -52.642
Base-Backbone interact. energy: 1.351
local terms energy: -56.060952
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -142.932352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.932352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.932352 (E_RNA)
where:
Base-Base interactions energy: -85.043
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.092
local terms energy: -57.796897
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -6.296
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: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -91.207607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.207607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.207607 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -35.736
Base-Backbone interact. energy: 0.075
local terms energy: -52.997857
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -3.108
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: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -102.008943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.008943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.008943 (E_RNA)
where:
Base-Base interactions energy: -53.687
where: short stacking energy: -35.849
Base-Backbone interact. energy: -0.097
local terms energy: -48.224866
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -81.328479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328479 (E_RNA)
where:
Base-Base interactions energy: -32.387
where: short stacking energy: -32.387
Base-Backbone interact. energy: -0.119
local terms energy: -48.822711
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -76.436559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.436559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.436559 (E_RNA)
where:
Base-Base interactions energy: -25.019
where: short stacking energy: -23.448
Base-Backbone interact. energy: -0.201
local terms energy: -51.217136
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: 0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -224.681327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.681327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.681327 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -69.144
Base-Backbone interact. energy: 0.589
local terms energy: -82.771904
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -24.637
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: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -208.870408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.870408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.870408 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.085
local terms energy: -70.669792
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -210.916459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.916459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.916459 (E_RNA)
where:
Base-Base interactions energy: -131.035
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.007
local terms energy: -79.873701
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -210.176341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176341 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -69.332
Base-Backbone interact. energy: -0.007
local terms energy: -75.948359
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.932
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -151.230750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.230750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.230750 (E_RNA)
where:
Base-Base interactions energy: -91.536
where: short stacking energy: -42.862
Base-Backbone interact. energy: -0.111
local terms energy: -59.583907
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -92.669185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669185 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -33.559
Base-Backbone interact. energy: 1.447
local terms energy: -49.235565
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -106.338632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.338632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.338632 (E_RNA)
where:
Base-Base interactions energy: -60.048
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.105
local terms energy: -46.185864
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -81.558121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558121 (E_RNA)
where:
Base-Base interactions energy: -35.588
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.141
local terms energy: -45.828860
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -71.703184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.703184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.703184 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.045
local terms energy: -42.020160
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -92.757753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.757753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.757753 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -36.547
Base-Backbone interact. energy: -0.003
local terms energy: -56.208106
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -218.177834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.177834 (E_RNA)
where:
Base-Base interactions energy: -141.123
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.003
local terms energy: -77.051861
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -11.893
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: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -208.461355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.461355 (E_RNA)
where:
Base-Base interactions energy: -136.161
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.067
local terms energy: -72.233015
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -206.572274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.572274 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.037
local terms energy: -66.254895
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -209.017391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.017391 (E_RNA)
where:
Base-Base interactions energy: -132.814
where: short stacking energy: -58.901
Base-Backbone interact. energy: 1.860
local terms energy: -78.063175
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.661
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: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -166.375398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.375398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.375398 (E_RNA)
where:
Base-Base interactions energy: -99.060
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.067
local terms energy: -67.248233
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -114.009714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.009714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.009714 (E_RNA)
where:
Base-Base interactions energy: -55.282
where: short stacking energy: -31.320
Base-Backbone interact. energy: -1.194
local terms energy: -57.533379
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -88.448422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.448422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.448422 (E_RNA)
where:
Base-Base interactions energy: -41.551
where: short stacking energy: -21.266
Base-Backbone interact. energy: -0.082
local terms energy: -46.815647
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -70.816076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.816076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.816076 (E_RNA)
where:
Base-Base interactions energy: -25.650
where: short stacking energy: -23.102
Base-Backbone interact. energy: -0.099
local terms energy: -45.067441
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -78.110908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.110908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.110908 (E_RNA)
where:
Base-Base interactions energy: -29.675
where: short stacking energy: -23.957
Base-Backbone interact. energy: -0.185
local terms energy: -48.250475
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -76.544222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.544222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.544222 (E_RNA)
where:
Base-Base interactions energy: -17.818
where: short stacking energy: -17.818
Base-Backbone interact. energy: -0.015
local terms energy: -58.710945
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -11.182
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: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -221.126557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.126557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.126557 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -66.468
Base-Backbone interact. energy: 0.228
local terms energy: -81.951009
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -212.003417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003417 (E_RNA)
where:
Base-Base interactions energy: -133.839
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.527
local terms energy: -77.637858
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -213.397344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.397344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397344 (E_RNA)
where:
Base-Base interactions energy: -133.056
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.270
local terms energy: -80.071162
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -19.971
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -203.520339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.520339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.520339 (E_RNA)
where:
Base-Base interactions energy: -133.685
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.348
local terms energy: -69.487621
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -156.231606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.231606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.231606 (E_RNA)
where:
Base-Base interactions energy: -87.411
where: short stacking energy: -50.442
Base-Backbone interact. energy: 0.152
local terms energy: -68.971935
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -12.276
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -115.261855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.261855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.261855 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.315
local terms energy: -58.476259
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -79.332476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.332476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.332476 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -33.256
Base-Backbone interact. energy: 1.083
local terms energy: -42.604928
where:
bonds (distance) C4'-P energy: -5.478
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.513
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -91.081516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.081516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.081516 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.133
local terms energy: -56.183818
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -74.881375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.881375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.881375 (E_RNA)
where:
Base-Base interactions energy: -24.511
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.152
local terms energy: -50.217548
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -71.040322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.040322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.040322 (E_RNA)
where:
Base-Base interactions energy: -23.329
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.153
local terms energy: -47.558922
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -218.475068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.475068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.475068 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.793
local terms energy: -80.300798
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -20.169
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -207.121454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.121454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.121454 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.678
local terms energy: -63.695564
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -210.298461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.298461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.298461 (E_RNA)
where:
Base-Base interactions energy: -135.572
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.706
local terms energy: -74.020608
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -207.566118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.566118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.566118 (E_RNA)
where:
Base-Base interactions energy: -137.358
where: short stacking energy: -62.312
Base-Backbone interact. energy: -0.003
local terms energy: -70.205254
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -11.071
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: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -161.248483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.248483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.248483 (E_RNA)
where:
Base-Base interactions energy: -94.294
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.257
local terms energy: -66.697331
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -12.261
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -90.975376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975376 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.098
local terms energy: -53.005220
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -92.160663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.160663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.160663 (E_RNA)
where:
Base-Base interactions energy: -45.405
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.078
local terms energy: -46.677390
where:
bonds (distance) C4'-P energy: -7.087
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -88.199823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199823 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.090
local terms energy: -53.528785
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -74.615614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.615614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.615614 (E_RNA)
where:
Base-Base interactions energy: -23.564
where: short stacking energy: -21.557
Base-Backbone interact. energy: -0.066
local terms energy: -50.985212
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -85.368671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368671 (E_RNA)
where:
Base-Base interactions energy: -29.100
where: short stacking energy: -29.100
Base-Backbone interact. energy: 1.151
local terms energy: -57.419565
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -220.874704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.874704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.874704 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.493
local terms energy: -75.866696
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -19.617
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: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -215.412798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.412798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.412798 (E_RNA)
where:
Base-Base interactions energy: -137.305
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.915
local terms energy: -77.192966
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -11.410
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: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -209.446842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446842 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.506
local terms energy: -79.819860
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -201.910923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.910923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.910923 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.035
local terms energy: -76.809958
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -180.132601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.132601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.132601 (E_RNA)
where:
Base-Base interactions energy: -110.992
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.007
local terms energy: -69.134195
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -92.083709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083709 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.169
local terms energy: -59.601381
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -89.871193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.871193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.871193 (E_RNA)
where:
Base-Base interactions energy: -39.479
where: short stacking energy: -38.033
Base-Backbone interact. energy: 1.100
local terms energy: -51.492728
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -75.851415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.851415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.851415 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -31.486
Base-Backbone interact. energy: 0.004
local terms energy: -44.369129
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -4.337
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: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -76.775799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.775799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.775799 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -25.422
Base-Backbone interact. energy: -0.175
local terms energy: -46.473464
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: 1.866
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -78.562435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.562435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.562435 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -27.625
Base-Backbone interact. energy: 0.195
local terms energy: -50.920762
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -215.276635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.276635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.276635 (E_RNA)
where:
Base-Base interactions energy: -138.512
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.032
local terms energy: -76.732714
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -216.049449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049449 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.057
local terms energy: -74.951104
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -220.556012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.556012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.556012 (E_RNA)
where:
Base-Base interactions energy: -136.938
where: short stacking energy: -71.424
Base-Backbone interact. energy: -0.064
local terms energy: -83.553530
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -167.589871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.589871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.589871 (E_RNA)
where:
Base-Base interactions energy: -107.041
where: short stacking energy: -55.891
Base-Backbone interact. energy: 0.811
local terms energy: -61.360128
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -199.427028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.427028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.427028 (E_RNA)
where:
Base-Base interactions energy: -132.059
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.017
local terms energy: -67.351097
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -11.145
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -83.717627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.717627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.717627 (E_RNA)
where:
Base-Base interactions energy: -28.234
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.049
local terms energy: -55.435020
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -88.216060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.216060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.216060 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -28.208
Base-Backbone interact. energy: 0.720
local terms energy: -51.970502
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -81.375319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.375319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.375319 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -36.280
Base-Backbone interact. energy: 0.003
local terms energy: -45.097895
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -82.910875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.910875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.910875 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.039
local terms energy: -54.825940
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.942619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.942619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.942619 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.545
local terms energy: -44.211524
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -212.681472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.681472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.681472 (E_RNA)
where:
Base-Base interactions energy: -136.465
where: short stacking energy: -60.487
Base-Backbone interact. energy: -0.640
local terms energy: -75.576083
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -216.838585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.838585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.838585 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.208
local terms energy: -76.201220
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -23.288
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -210.166887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166887 (E_RNA)
where:
Base-Base interactions energy: -134.794
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.281
local terms energy: -75.092288
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -19.593
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: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -164.690660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.690660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.690660 (E_RNA)
where:
Base-Base interactions energy: -101.378
where: short stacking energy: -42.793
Base-Backbone interact. energy: -1.057
local terms energy: -62.255167
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -108.407131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.407131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.407131 (E_RNA)
where:
Base-Base interactions energy: -54.362
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.055
local terms energy: -53.989808
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.913
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: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -193.006529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.006529 (E_RNA)
where:
Base-Base interactions energy: -120.519
where: short stacking energy: -58.938
Base-Backbone interact. energy: 0.574
local terms energy: -73.060836
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -89.959753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.959753 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.317
local terms energy: -49.468447
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -4.458
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: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -117.016491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.016491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.016491 (E_RNA)
where:
Base-Base interactions energy: -59.797
where: short stacking energy: -25.799
Base-Backbone interact. energy: -0.070
local terms energy: -57.148957
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.340278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340278 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -18.745
Base-Backbone interact. energy: -0.216
local terms energy: -43.338298
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.542641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542641 (E_RNA)
where:
Base-Base interactions energy: -32.018
where: short stacking energy: -25.585
Base-Backbone interact. energy: -0.240
local terms energy: -45.284896
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -5.970
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: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -219.881484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.881484 (E_RNA)
where:
Base-Base interactions energy: -145.272
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.701
local terms energy: -73.909087
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -215.658898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.658898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.658898 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -64.689
Base-Backbone interact. energy: -0.614
local terms energy: -79.308201
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -21.658
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: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -210.718373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718373 (E_RNA)
where:
Base-Base interactions energy: -134.331
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.765
local terms energy: -75.622052
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -154.188143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.188143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.188143 (E_RNA)
where:
Base-Base interactions energy: -88.920
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.105
local terms energy: -65.162893
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -8.995
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: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -110.030338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.030338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.030338 (E_RNA)
where:
Base-Base interactions energy: -59.743
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.101
local terms energy: -50.185656
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -178.029965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.029965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.029965 (E_RNA)
where:
Base-Base interactions energy: -112.622
where: short stacking energy: -55.317
Base-Backbone interact. energy: 1.383
local terms energy: -66.791591
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -87.817675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.817675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.817675 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -19.958
Base-Backbone interact. energy: -0.739
local terms energy: -46.916612
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -83.702610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.702610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.702610 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.142
local terms energy: -49.590810
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -98.528211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528211 (E_RNA)
where:
Base-Base interactions energy: -50.567
where: short stacking energy: -19.255
Base-Backbone interact. energy: -0.357
local terms energy: -47.604428
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -64.994719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.994719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.994719 (E_RNA)
where:
Base-Base interactions energy: -21.812
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.214
local terms energy: -42.968639
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -221.536751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.536751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.536751 (E_RNA)
where:
Base-Base interactions energy: -142.050
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.006
local terms energy: -79.481178
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -18.171
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: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -215.939688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.939688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.939688 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.017
local terms energy: -76.938022
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -205.788369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788369 (E_RNA)
where:
Base-Base interactions energy: -125.852
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.033
local terms energy: -79.903431
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -22.298
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: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -164.756288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.756288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.756288 (E_RNA)
where:
Base-Base interactions energy: -94.267
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.106
local terms energy: -70.383479
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -7.957
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: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -164.961220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.961220 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.124
local terms energy: -74.795268
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -77.153661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.153661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.153661 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -27.082
Base-Backbone interact. energy: 0.578
local terms energy: -50.650138
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -94.461807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461807 (E_RNA)
where:
Base-Base interactions energy: -34.205
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.165
local terms energy: -60.091894
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -79.758719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758719 (E_RNA)
where:
Base-Base interactions energy: -24.367
where: short stacking energy: -24.367
Base-Backbone interact. energy: 0.106
local terms energy: -55.497238
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -5.865
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -75.063292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.063292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.063292 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -20.824
Base-Backbone interact. energy: -0.157
local terms energy: -51.211688
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -6.677
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: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -89.691655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691655 (E_RNA)
where:
Base-Base interactions energy: -48.832
where: short stacking energy: -19.185
Base-Backbone interact. energy: -1.471
local terms energy: -39.388550
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -218.988233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.988233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.988233 (E_RNA)
where:
Base-Base interactions energy: -140.561
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.134
local terms energy: -78.293157
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -214.750154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.750154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.750154 (E_RNA)
where:
Base-Base interactions energy: -136.572
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.598
local terms energy: -77.580814
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -202.869777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.869777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.869777 (E_RNA)
where:
Base-Base interactions energy: -124.654
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.544
local terms energy: -77.671708
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -140.295264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.295264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.295264 (E_RNA)
where:
Base-Base interactions energy: -77.859
where: short stacking energy: -44.255
Base-Backbone interact. energy: -2.405
local terms energy: -60.031739
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -155.074017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.074017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.074017 (E_RNA)
where:
Base-Base interactions energy: -92.089
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.029
local terms energy: -62.955263
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.083
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: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -88.841169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.841169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.841169 (E_RNA)
where:
Base-Base interactions energy: -40.868
where: short stacking energy: -20.240
Base-Backbone interact. energy: -0.241
local terms energy: -47.732625
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: 0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -85.593710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593710 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -26.563
Base-Backbone interact. energy: 0.097
local terms energy: -59.127712
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -8.884
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: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -87.723821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.723821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.723821 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.124
local terms energy: -54.555674
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -76.416162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.416162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.416162 (E_RNA)
where:
Base-Base interactions energy: -27.939
where: short stacking energy: -19.635
Base-Backbone interact. energy: -0.471
local terms energy: -48.005882
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -71.614668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.614668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.614668 (E_RNA)
where:
Base-Base interactions energy: -23.272
where: short stacking energy: -17.490
Base-Backbone interact. energy: -0.374
local terms energy: -47.969036
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -216.453043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.453043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453043 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.010
local terms energy: -77.627978
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -216.599216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.599216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.599216 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -61.752
Base-Backbone interact. energy: 0.584
local terms energy: -76.688326
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -200.183720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.183720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.183720 (E_RNA)
where:
Base-Base interactions energy: -127.727
where: short stacking energy: -62.098
Base-Backbone interact. energy: -1.556
local terms energy: -70.900521
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -151.494044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.494044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.494044 (E_RNA)
where:
Base-Base interactions energy: -87.563
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.223
local terms energy: -63.708032
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -159.520415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.520415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.520415 (E_RNA)
where:
Base-Base interactions energy: -94.794
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.081
local terms energy: -64.645265
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -85.534435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.534435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.534435 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.286
local terms energy: -56.134378
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -3.025
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: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -98.035010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.035010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.035010 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.099
local terms energy: -66.762800
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -8.025
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: 414
Temperature: 1.250000
Total energy: -81.259739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259739 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.630
local terms energy: -53.817798
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -80.433807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.433807 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -20.040
Base-Backbone interact. energy: -0.033
local terms energy: -42.326995
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -9.356
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -77.275452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.275452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.275452 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -29.879
Base-Backbone interact. energy: -0.044
local terms energy: -47.352071
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -217.808860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.808860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.808860 (E_RNA)
where:
Base-Base interactions energy: -135.308
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.009
local terms energy: -82.492743
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -18.923
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: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -209.225105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.225105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.225105 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.275
local terms energy: -74.574037
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -20.682
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -198.508849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.508849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.508849 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -51.480
Base-Backbone interact. energy: -0.379
local terms energy: -68.477416
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -12.195
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: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -160.819047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.819047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.819047 (E_RNA)
where:
Base-Base interactions energy: -97.134
where: short stacking energy: -51.175
Base-Backbone interact. energy: -0.319
local terms energy: -63.366064
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -156.066414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.066414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.066414 (E_RNA)
where:
Base-Base interactions energy: -90.977
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.251
local terms energy: -64.838493
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -80.580962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.580962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.580962 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.036
local terms energy: -51.981066
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -11.738
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: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -91.105657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.105657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.105657 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.014
local terms energy: -56.471423
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -10.089
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: 415
Temperature: 1.250000
Total energy: -84.319640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.319640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.319640 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -32.355
Base-Backbone interact. energy: 2.119
local terms energy: -49.355420
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -0.762
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: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -76.869679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.869679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.869679 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -25.413
Base-Backbone interact. energy: -0.259
local terms energy: -44.533727
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: 1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -88.962560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.962560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.962560 (E_RNA)
where:
Base-Base interactions energy: -40.515
where: short stacking energy: -17.363
Base-Backbone interact. energy: -0.058
local terms energy: -48.388627
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -211.663027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.663027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.663027 (E_RNA)
where:
Base-Base interactions energy: -133.922
where: short stacking energy: -62.334
Base-Backbone interact. energy: -0.043
local terms energy: -77.698131
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -214.577428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.577428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.577428 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.057
local terms energy: -74.642149
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -183.728536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.728536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.728536 (E_RNA)
where:
Base-Base interactions energy: -113.158
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.100
local terms energy: -70.470276
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -157.214320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.214320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.214320 (E_RNA)
where:
Base-Base interactions energy: -94.923
where: short stacking energy: -48.567
Base-Backbone interact. energy: -0.858
local terms energy: -61.433554
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -173.660444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.660444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.660444 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.572
local terms energy: -64.604823
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -92.829051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.829051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.829051 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -29.290
Base-Backbone interact. energy: 0.422
local terms energy: -57.243438
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -74.684530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.684530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.684530 (E_RNA)
where:
Base-Base interactions energy: -25.390
where: short stacking energy: -22.541
Base-Backbone interact. energy: -0.031
local terms energy: -49.264308
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -80.474747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.474747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.474747 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -24.753
Base-Backbone interact. energy: -0.135
local terms energy: -52.932112
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -74.349076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.349076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.349076 (E_RNA)
where:
Base-Base interactions energy: -31.201
where: short stacking energy: -31.201
Base-Backbone interact. energy: -0.016
local terms energy: -43.132415
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -6.750
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -6.175
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: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -76.800273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.800273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.800273 (E_RNA)
where:
Base-Base interactions energy: -25.734
where: short stacking energy: -25.734
Base-Backbone interact. energy: -0.119
local terms energy: -50.947902
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -212.585057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.585057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.585057 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.105
local terms energy: -74.502050
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -205.941630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.941630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.941630 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.220
local terms energy: -72.614073
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -11.147
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: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -191.465109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.465109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.465109 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -56.513
Base-Backbone interact. energy: 0.792
local terms energy: -75.645383
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -153.914368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.914368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.914368 (E_RNA)
where:
Base-Base interactions energy: -93.233
where: short stacking energy: -46.004
Base-Backbone interact. energy: -0.010
local terms energy: -60.671012
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -159.342519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.342519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.342519 (E_RNA)
where:
Base-Base interactions energy: -106.186
where: short stacking energy: -44.207
Base-Backbone interact. energy: -0.173
local terms energy: -52.983987
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -88.164812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.164812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.164812 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.110
local terms energy: -57.466102
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -87.608521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.608521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.608521 (E_RNA)
where:
Base-Base interactions energy: -32.703
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.086
local terms energy: -54.819662
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -7.694
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -85.632397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.632397 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.088
local terms energy: -56.287385
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -79.228033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.228033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.228033 (E_RNA)
where:
Base-Base interactions energy: -29.378
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.007
local terms energy: -49.843071
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -3.864
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -75.665151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.665151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.665151 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.272
local terms energy: -44.797772
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -215.320438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.320438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.320438 (E_RNA)
where:
Base-Base interactions energy: -130.868
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.012
local terms energy: -84.440522
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.783
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: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -218.263853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.263853 (E_RNA)
where:
Base-Base interactions energy: -134.972
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.724
local terms energy: -82.568022
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.518
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: 418
Temperature: 1.000000
Total energy: -204.671040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.671040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.671040 (E_RNA)
where:
Base-Base interactions energy: -135.000
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.021
local terms energy: -69.649754
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -161.614044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.614044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.614044 (E_RNA)
where:
Base-Base interactions energy: -97.799
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.356
local terms energy: -63.458853
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -7.402
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -154.094237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.094237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.094237 (E_RNA)
where:
Base-Base interactions energy: -91.877
where: short stacking energy: -48.787
Base-Backbone interact. energy: -1.054
local terms energy: -61.163102
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -103.526731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.526731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.526731 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.161
local terms energy: -63.156958
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -8.657
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: 418
Temperature: 1.200000
Total energy: -87.076257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.076257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.076257 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.285
local terms energy: -47.123015
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -75.130634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.130634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.130634 (E_RNA)
where:
Base-Base interactions energy: -25.507
where: short stacking energy: -20.704
Base-Backbone interact. energy: 1.145
local terms energy: -50.768916
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -12.760
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -82.841243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.841243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.841243 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.097
local terms energy: -53.594962
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -85.314882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.314882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.314882 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -31.503
Base-Backbone interact. energy: 0.160
local terms energy: -53.972036
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -216.638830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.638830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.638830 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.116
local terms energy: -79.917745
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -211.919662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.919662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.919662 (E_RNA)
where:
Base-Base interactions energy: -132.908
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.080
local terms energy: -78.931385
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -198.649256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.649256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.649256 (E_RNA)
where:
Base-Base interactions energy: -131.710
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.309
local terms energy: -66.630188
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -153.412984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.412984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.412984 (E_RNA)
where:
Base-Base interactions energy: -88.114
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.293
local terms energy: -65.005561
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -12.032
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: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -156.377784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.377784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.377784 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.051
local terms energy: -63.298772
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -8.664
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: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -95.566228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.566228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.566228 (E_RNA)
where:
Base-Base interactions energy: -37.342
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.336
local terms energy: -57.888049
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.553
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: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -84.770142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.770142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.770142 (E_RNA)
where:
Base-Base interactions energy: -33.782
where: short stacking energy: -32.317
Base-Backbone interact. energy: -0.141
local terms energy: -50.846408
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -4.258
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: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -90.655578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.655578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.655578 (E_RNA)
where:
Base-Base interactions energy: -35.587
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.014
local terms energy: -55.054819
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -74.044077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.044077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.044077 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.448
local terms energy: -47.493317
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -83.444856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.444856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.444856 (E_RNA)
where:
Base-Base interactions energy: -32.517
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.031
local terms energy: -50.897757
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.651
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: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -219.406596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406596 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.003
local terms energy: -80.004844
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -213.906713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.906713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.906713 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.063
local terms energy: -78.540174
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.944
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -209.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.753845 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.160
local terms energy: -79.397273
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -21.606
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: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -176.286904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.286904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.286904 (E_RNA)
where:
Base-Base interactions energy: -106.959
where: short stacking energy: -51.152
Base-Backbone interact. energy: -0.046
local terms energy: -69.281596
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -154.069929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.069929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.069929 (E_RNA)
where:
Base-Base interactions energy: -94.803
where: short stacking energy: -39.337
Base-Backbone interact. energy: -0.177
local terms energy: -59.090427
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -102.123365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.123365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.123365 (E_RNA)
where:
Base-Base interactions energy: -41.652
where: short stacking energy: -36.563
Base-Backbone interact. energy: -1.297
local terms energy: -59.173820
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -85.876776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.876776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.876776 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.417
local terms energy: -45.747596
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -87.833873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.833873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.833873 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -37.914
Base-Backbone interact. energy: -0.027
local terms energy: -49.892735
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -75.905232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905232 (E_RNA)
where:
Base-Base interactions energy: -37.550
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.232
local terms energy: -38.123066
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -6.838
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -80.989715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.989715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.989715 (E_RNA)
where:
Base-Base interactions energy: -29.554
where: short stacking energy: -29.421
Base-Backbone interact. energy: -0.050
local terms energy: -51.386274
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -218.994606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.994606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.994606 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.001
local terms energy: -77.190244
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -209.097418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.097418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.097418 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.061
local terms energy: -73.205982
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -9.839
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: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -212.791308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.791308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.791308 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.264
local terms energy: -77.544173
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -24.628
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: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -210.168199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.168199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.168199 (E_RNA)
where:
Base-Base interactions energy: -132.776
where: short stacking energy: -56.371
Base-Backbone interact. energy: 0.042
local terms energy: -77.434339
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -13.952
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: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -162.219499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.219499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.219499 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -44.521
Base-Backbone interact. energy: 1.109
local terms energy: -65.796316
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -11.583
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: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -100.345064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.345064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.345064 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.156
local terms energy: -56.343266
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.029
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: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -98.573995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.573995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.573995 (E_RNA)
where:
Base-Base interactions energy: -42.151
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.035
local terms energy: -56.387121
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -76.399928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.399928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.399928 (E_RNA)
where:
Base-Base interactions energy: -21.975
where: short stacking energy: -21.975
Base-Backbone interact. energy: -0.195
local terms energy: -54.230168
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -11.469
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: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -76.271316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.271316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.271316 (E_RNA)
where:
Base-Base interactions energy: -25.773
where: short stacking energy: -25.773
Base-Backbone interact. energy: 0.090
local terms energy: -50.588672
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -75.956064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.956064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.956064 (E_RNA)
where:
Base-Base interactions energy: -30.259
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.124
local terms energy: -45.573830
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -219.852475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852475 (E_RNA)
where:
Base-Base interactions energy: -143.612
where: short stacking energy: -70.589
Base-Backbone interact. energy: -0.371
local terms energy: -75.869082
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -206.387654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.387654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.387654 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.200
local terms energy: -76.498157
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -198.810161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.810161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.810161 (E_RNA)
where:
Base-Base interactions energy: -126.837
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.021
local terms energy: -71.952111
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -11.809
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: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -208.529668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.529668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.529668 (E_RNA)
where:
Base-Base interactions energy: -130.637
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.469
local terms energy: -77.423479
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -170.635857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.635857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.635857 (E_RNA)
where:
Base-Base interactions energy: -106.363
where: short stacking energy: -48.557
Base-Backbone interact. energy: -1.073
local terms energy: -63.200446
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -95.260017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.260017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.260017 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -29.615
Base-Backbone interact. energy: 0.946
local terms energy: -55.336720
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -93.154317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.154317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.154317 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -33.599
Base-Backbone interact. energy: -0.792
local terms energy: -58.764196
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -75.065799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.065799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.065799 (E_RNA)
where:
Base-Base interactions energy: -26.506
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.595
local terms energy: -47.965373
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -79.983351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.983351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.983351 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.103
local terms energy: -44.271724
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -71.653519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.653519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.653519 (E_RNA)
where:
Base-Base interactions energy: -23.157
where: short stacking energy: -23.157
Base-Backbone interact. energy: -0.120
local terms energy: -48.376406
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -212.839410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.839410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.839410 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -68.301
Base-Backbone interact. energy: 2.282
local terms energy: -76.528427
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -21.364
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -217.938632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.938632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.938632 (E_RNA)
where:
Base-Base interactions energy: -139.627
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.282
local terms energy: -78.029926
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -210.188189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.188189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.188189 (E_RNA)
where:
Base-Base interactions energy: -133.568
where: short stacking energy: -66.951
Base-Backbone interact. energy: -0.058
local terms energy: -76.561847
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.635
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -204.833092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.833092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.833092 (E_RNA)
where:
Base-Base interactions energy: -132.227
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.067
local terms energy: -72.539747
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.417
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: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -180.030821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.030821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.030821 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.013
local terms energy: -68.871671
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -10.881
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: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -99.658590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.658590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.658590 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.006
local terms energy: -55.135229
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -81.108014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.108014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.108014 (E_RNA)
where:
Base-Base interactions energy: -31.349
where: short stacking energy: -26.466
Base-Backbone interact. energy: 1.837
local terms energy: -51.596921
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: 2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -88.767085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.767085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.767085 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -27.136
Base-Backbone interact. energy: -0.247
local terms energy: -48.157054
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.045396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.045396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.045396 (E_RNA)
where:
Base-Base interactions energy: -27.881
where: short stacking energy: -27.316
Base-Backbone interact. energy: -1.166
local terms energy: -55.998679
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -66.492575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.492575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.492575 (E_RNA)
where:
Base-Base interactions energy: -18.900
where: short stacking energy: -15.210
Base-Backbone interact. energy: 0.040
local terms energy: -47.632554
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -222.820932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820932 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.272
local terms energy: -80.568976
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -23.444
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: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -212.589824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.589824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.589824 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.267
local terms energy: -80.689462
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -203.240363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.240363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.240363 (E_RNA)
where:
Base-Base interactions energy: -134.054
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.110
local terms energy: -69.076087
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -196.322506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.322506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.322506 (E_RNA)
where:
Base-Base interactions energy: -131.009
where: short stacking energy: -56.524
Base-Backbone interact. energy: 0.721
local terms energy: -66.034499
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.223
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: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -160.339782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.339782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.339782 (E_RNA)
where:
Base-Base interactions energy: -100.969
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.028
local terms energy: -59.342704
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -107.392617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.392617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.392617 (E_RNA)
where:
Base-Base interactions energy: -42.296
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.489
local terms energy: -64.607534
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -13.492
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: 424
Temperature: 1.200000
Total energy: -85.146813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.146813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.146813 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -34.324
Base-Backbone interact. energy: 0.376
local terms energy: -48.919846
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -94.677460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.677460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.677460 (E_RNA)
where:
Base-Base interactions energy: -35.723
where: short stacking energy: -32.109
Base-Backbone interact. energy: 0.112
local terms energy: -59.066487
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -78.876368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.876368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.876368 (E_RNA)
where:
Base-Base interactions energy: -23.300
where: short stacking energy: -21.213
Base-Backbone interact. energy: -0.147
local terms energy: -55.428948
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -75.622487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.622487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.622487 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -19.539
Base-Backbone interact. energy: -0.454
local terms energy: -46.539283
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -217.869885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.869885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.869885 (E_RNA)
where:
Base-Base interactions energy: -136.833
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.002
local terms energy: -81.034790
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.080
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: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -206.137676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.137676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.137676 (E_RNA)
where:
Base-Base interactions energy: -132.000
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.036
local terms energy: -74.101166
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -202.398489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398489 (E_RNA)
where:
Base-Base interactions energy: -127.539
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.485
local terms energy: -74.373740
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -200.865214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.865214 (E_RNA)
where:
Base-Base interactions energy: -130.822
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.124
local terms energy: -69.918929
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -164.979428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.979428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.979428 (E_RNA)
where:
Base-Base interactions energy: -98.614
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.256
local terms energy: -66.109318
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -87.445539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.445539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.445539 (E_RNA)
where:
Base-Base interactions energy: -42.676
where: short stacking energy: -29.952
Base-Backbone interact. energy: 0.691
local terms energy: -45.459735
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -91.462932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.462932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.462932 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -38.435
Base-Backbone interact. energy: -0.076
local terms energy: -51.377202
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -84.630504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.630504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.630504 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -30.308
Base-Backbone interact. energy: 1.902
local terms energy: -56.225019
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -72.791417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.791417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.791417 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -15.742
Base-Backbone interact. energy: -0.488
local terms energy: -45.733882
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -81.582826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.582826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.582826 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -27.475
Base-Backbone interact. energy: -0.366
local terms energy: -47.894600
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -220.947634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.947634 (E_RNA)
where:
Base-Base interactions energy: -138.735
where: short stacking energy: -71.383
Base-Backbone interact. energy: -2.113
local terms energy: -80.099762
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -23.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -209.088059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.088059 (E_RNA)
where:
Base-Base interactions energy: -135.277
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.060
local terms energy: -73.751140
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -211.170642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.170642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.170642 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.075
local terms energy: -71.578054
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -7.538
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: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -212.122439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.122439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.122439 (E_RNA)
where:
Base-Base interactions energy: -139.850
where: short stacking energy: -69.128
Base-Backbone interact. energy: 0.515
local terms energy: -72.787044
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -168.463830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.463830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.463830 (E_RNA)
where:
Base-Base interactions energy: -105.817
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.043
local terms energy: -62.603793
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -89.048355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048355 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.129
local terms energy: -56.444443
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -94.082556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.082556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.082556 (E_RNA)
where:
Base-Base interactions energy: -31.540
where: short stacking energy: -24.060
Base-Backbone interact. energy: -0.031
local terms energy: -62.511533
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.661
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: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -83.582243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.582243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.582243 (E_RNA)
where:
Base-Base interactions energy: -35.304
where: short stacking energy: -32.448
Base-Backbone interact. energy: 0.109
local terms energy: -48.386924
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -86.874283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874283 (E_RNA)
where:
Base-Base interactions energy: -45.072
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.568
local terms energy: -41.234138
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.935464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.935464 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.153
local terms energy: -44.423693
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -2.693
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -209.719954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719954 (E_RNA)
where:
Base-Base interactions energy: -131.685
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.054
local terms energy: -77.981115
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.235
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: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -217.880145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880145 (E_RNA)
where:
Base-Base interactions energy: -138.900
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.267
local terms energy: -78.712297
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -22.101
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -209.520349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.520349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.520349 (E_RNA)
where:
Base-Base interactions energy: -134.388
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.029
local terms energy: -75.103655
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -10.812
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: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -202.199153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199153 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.072
local terms energy: -71.066371
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -167.308805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.308805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.308805 (E_RNA)
where:
Base-Base interactions energy: -105.061
where: short stacking energy: -50.020
Base-Backbone interact. energy: -0.015
local terms energy: -62.233072
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -89.339698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.339698 (E_RNA)
where:
Base-Base interactions energy: -30.162
where: short stacking energy: -26.665
Base-Backbone interact. energy: -0.341
local terms energy: -58.837238
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -89.116394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.116394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.116394 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -27.609
Base-Backbone interact. energy: -0.157
local terms energy: -60.321317
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -99.816368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.816368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.816368 (E_RNA)
where:
Base-Base interactions energy: -49.207
where: short stacking energy: -28.752
Base-Backbone interact. energy: 0.165
local terms energy: -50.774717
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -86.422519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422519 (E_RNA)
where:
Base-Base interactions energy: -28.447
where: short stacking energy: -24.987
Base-Backbone interact. energy: 0.010
local terms energy: -57.985164
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -71.850737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.850737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.850737 (E_RNA)
where:
Base-Base interactions energy: -19.857
where: short stacking energy: -16.965
Base-Backbone interact. energy: -0.604
local terms energy: -51.389729
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -4.401
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: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -216.937647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.937647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.937647 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.029
local terms energy: -77.145054
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -207.229292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.229292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.229292 (E_RNA)
where:
Base-Base interactions energy: -135.666
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.248
local terms energy: -71.315693
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -210.927802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.927802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.927802 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.111
local terms energy: -76.303641
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -181.327306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.327306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.327306 (E_RNA)
where:
Base-Base interactions energy: -112.303
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.610
local terms energy: -68.414722
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.902
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: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -158.612800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.612800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.612800 (E_RNA)
where:
Base-Base interactions energy: -92.225
where: short stacking energy: -46.106
Base-Backbone interact. energy: -0.070
local terms energy: -66.317874
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -12.003
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: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -119.632677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.632677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.632677 (E_RNA)
where:
Base-Base interactions energy: -68.265
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.487
local terms energy: -50.879962
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -5.862
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -6.132
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: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -93.517818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.517818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.517818 (E_RNA)
where:
Base-Base interactions energy: -48.242
where: short stacking energy: -20.111
Base-Backbone interact. energy: 0.735
local terms energy: -46.010415
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -79.104398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.104398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.104398 (E_RNA)
where:
Base-Base interactions energy: -25.751
where: short stacking energy: -22.618
Base-Backbone interact. energy: -0.056
local terms energy: -53.297620
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -91.060137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.060137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.060137 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -29.991
Base-Backbone interact. energy: 0.375
local terms energy: -51.633419
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -68.493350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.493350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.493350 (E_RNA)
where:
Base-Base interactions energy: -23.819
where: short stacking energy: -19.688
Base-Backbone interact. energy: -0.296
local terms energy: -44.377808
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -214.661452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.661452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.661452 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.124
local terms energy: -81.032741
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -212.662343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.662343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.662343 (E_RNA)
where:
Base-Base interactions energy: -139.554
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.004
local terms energy: -73.103961
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -204.698182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.698182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.698182 (E_RNA)
where:
Base-Base interactions energy: -131.402
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.255
local terms energy: -73.040852
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.781
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -207.920419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.920419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.920419 (E_RNA)
where:
Base-Base interactions energy: -130.563
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.023
local terms energy: -77.334913
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -19.953
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -142.484319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.484319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.484319 (E_RNA)
where:
Base-Base interactions energy: -84.889
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.027
local terms energy: -57.569045
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -7.437
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: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -96.622001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.622001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.622001 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.785
local terms energy: -50.840666
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: 0.226
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: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -85.192415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192415 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.109
local terms energy: -50.297611
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -80.666447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666447 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -32.866
Base-Backbone interact. energy: 0.476
local terms energy: -48.276076
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -6.662
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -79.215897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.215897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.215897 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.101
local terms energy: -49.273501
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -2.098
tors. eta vs tors. theta energy: -7.758
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: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -84.245640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.245640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.245640 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -37.731
Base-Backbone interact. energy: -0.091
local terms energy: -46.423226
where:
bonds (distance) C4'-P energy: -6.767
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -216.797809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.797809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.797809 (E_RNA)
where:
Base-Base interactions energy: -137.767
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.039
local terms energy: -78.991857
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -23.194
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: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -211.588415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.588415 (E_RNA)
where:
Base-Base interactions energy: -131.997
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.910
local terms energy: -78.680868
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -11.377
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: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -203.209276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.209276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.209276 (E_RNA)
where:
Base-Base interactions energy: -128.653
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.088
local terms energy: -74.468781
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -11.284
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: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -196.491096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.491096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.491096 (E_RNA)
where:
Base-Base interactions energy: -120.880
where: short stacking energy: -52.518
Base-Backbone interact. energy: -0.578
local terms energy: -75.032589
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -112.940437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.940437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.940437 (E_RNA)
where:
Base-Base interactions energy: -52.643
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.010
local terms energy: -60.287519
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -158.005131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.005131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.005131 (E_RNA)
where:
Base-Base interactions energy: -98.767
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.760
local terms energy: -58.477711
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -101.076042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.076042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.076042 (E_RNA)
where:
Base-Base interactions energy: -51.787
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.063
local terms energy: -49.225548
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -88.627131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.627131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.627131 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.164
local terms energy: -58.922107
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -67.304824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.304824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.304824 (E_RNA)
where:
Base-Base interactions energy: -22.895
where: short stacking energy: -16.493
Base-Backbone interact. energy: -0.872
local terms energy: -43.537522
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -73.228264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.228264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.228264 (E_RNA)
where:
Base-Base interactions energy: -26.243
where: short stacking energy: -24.958
Base-Backbone interact. energy: -0.085
local terms energy: -46.900271
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -2.945
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: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -219.237270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.237270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.237270 (E_RNA)
where:
Base-Base interactions energy: -146.429
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.258
local terms energy: -72.550073
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -217.395189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.395189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.395189 (E_RNA)
where:
Base-Base interactions energy: -139.620
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.054
local terms energy: -77.721872
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -24.288
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -201.724395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.724395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.724395 (E_RNA)
where:
Base-Base interactions energy: -128.299
where: short stacking energy: -58.626
Base-Backbone interact. energy: 0.856
local terms energy: -74.281984
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.337
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: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -179.623323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.623323 (E_RNA)
where:
Base-Base interactions energy: -113.601
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.587
local terms energy: -65.435212
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -94.470685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.470685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.470685 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -37.918
Base-Backbone interact. energy: 0.210
local terms energy: -55.463050
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -156.856083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.856083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.856083 (E_RNA)
where:
Base-Base interactions energy: -105.796
where: short stacking energy: -46.465
Base-Backbone interact. energy: -0.128
local terms energy: -50.932448
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -5.851
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -95.435988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.435988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.435988 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -34.138
Base-Backbone interact. energy: 1.037
local terms energy: -50.678015
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -84.908818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.908818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.908818 (E_RNA)
where:
Base-Base interactions energy: -28.552
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.185
local terms energy: -56.171999
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -75.275660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.275660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.275660 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -19.886
Base-Backbone interact. energy: -0.746
local terms energy: -47.389215
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -75.129329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129329 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.250
local terms energy: -51.541303
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -215.952046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952046 (E_RNA)
where:
Base-Base interactions energy: -141.430
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.344
local terms energy: -74.178499
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.561
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: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -206.123406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.123406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.123406 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.002
local terms energy: -68.489098
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.040
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -206.203420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.203420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.203420 (E_RNA)
where:
Base-Base interactions energy: -133.490
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.084
local terms energy: -72.629398
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -206.707581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.707581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.707581 (E_RNA)
where:
Base-Base interactions energy: -132.136
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.088
local terms energy: -74.483191
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -20.636
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: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -160.926321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.926321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.926321 (E_RNA)
where:
Base-Base interactions energy: -98.312
where: short stacking energy: -39.327
Base-Backbone interact. energy: -0.096
local terms energy: -62.518319
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -93.000811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.000811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.000811 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.505
local terms energy: -55.594030
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -88.008308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.008308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.008308 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -25.129
Base-Backbone interact. energy: -0.824
local terms energy: -47.478451
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -84.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.468598 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.200
local terms energy: -57.582183
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -95.831657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.831657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.831657 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.016
local terms energy: -62.299528
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -13.160
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -77.111504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.111504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.111504 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -22.987
Base-Backbone interact. energy: -0.213
local terms energy: -33.306888
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -224.897154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897154 (E_RNA)
where:
Base-Base interactions energy: -144.107
where: short stacking energy: -69.665
Base-Backbone interact. energy: -0.240
local terms energy: -80.549779
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -213.960055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.960055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.960055 (E_RNA)
where:
Base-Base interactions energy: -134.905
where: short stacking energy: -68.415
Base-Backbone interact. energy: 0.939
local terms energy: -79.994038
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -195.700678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.700678 (E_RNA)
where:
Base-Base interactions energy: -122.116
where: short stacking energy: -61.631
Base-Backbone interact. energy: -1.438
local terms energy: -72.146606
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -211.209792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.209792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.209792 (E_RNA)
where:
Base-Base interactions energy: -134.401
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.063
local terms energy: -76.746332
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -161.818873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.818873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.818873 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -38.243
Base-Backbone interact. energy: -0.061
local terms energy: -67.790191
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -97.445480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.445480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.445480 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -39.775
Base-Backbone interact. energy: -0.213
local terms energy: -57.014256
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -85.048570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048570 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.086
local terms energy: -53.813229
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -8.435
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -3.409
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: 8, replica: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -77.431336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.431336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.431336 (E_RNA)
where:
Base-Base interactions energy: -27.063
where: short stacking energy: -27.063
Base-Backbone interact. energy: -0.068
local terms energy: -50.300075
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: 3.249
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: 433
Temperature: 1.300000
Total energy: -77.581630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.581630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.581630 (E_RNA)
where:
Base-Base interactions energy: -23.079
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.155
local terms energy: -54.348041
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.249
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: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.223106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.223106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.223106 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -18.183
Base-Backbone interact. energy: -0.656
local terms energy: -48.689531
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -225.937794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.937794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.937794 (E_RNA)
where:
Base-Base interactions energy: -142.888
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.017
local terms energy: -83.033370
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -209.908439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.908439 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.137
local terms energy: -79.725083
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -212.469061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.469061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.469061 (E_RNA)
where:
Base-Base interactions energy: -135.352
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.534
local terms energy: -76.583133
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -198.282396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.282396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.282396 (E_RNA)
where:
Base-Base interactions energy: -123.718
where: short stacking energy: -52.488
Base-Backbone interact. energy: -0.457
local terms energy: -74.107607
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -168.620807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.620807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.620807 (E_RNA)
where:
Base-Base interactions energy: -110.317
where: short stacking energy: -42.846
Base-Backbone interact. energy: -0.033
local terms energy: -58.271085
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -93.356713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.356713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.356713 (E_RNA)
where:
Base-Base interactions energy: -40.941
where: short stacking energy: -29.436
Base-Backbone interact. energy: 0.448
local terms energy: -52.863848
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -84.773829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.773829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.773829 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.590
local terms energy: -51.946697
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -10.284
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: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -78.727972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.727972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.727972 (E_RNA)
where:
Base-Base interactions energy: -27.637
where: short stacking energy: -22.854
Base-Backbone interact. energy: -0.223
local terms energy: -50.868064
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -95.095814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.095814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.095814 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -18.363
Base-Backbone interact. energy: -0.247
local terms energy: -56.287311
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -86.327353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327353 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -34.351
Base-Backbone interact. energy: 1.590
local terms energy: -47.297909
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -221.255095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.255095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.255095 (E_RNA)
where:
Base-Base interactions energy: -141.626
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.044
local terms energy: -79.585351
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -217.612866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.612866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.612866 (E_RNA)
where:
Base-Base interactions energy: -139.432
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.531
local terms energy: -77.649631
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -213.621566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.621566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.621566 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.105
local terms energy: -74.122490
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -201.405380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.405380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.405380 (E_RNA)
where:
Base-Base interactions energy: -128.336
where: short stacking energy: -53.663
Base-Backbone interact. energy: -0.101
local terms energy: -72.967738
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -15.636
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: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -159.665721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.665721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.665721 (E_RNA)
where:
Base-Base interactions energy: -97.500
where: short stacking energy: -44.456
Base-Backbone interact. energy: 0.141
local terms energy: -62.307603
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.172
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: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -92.514730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.514730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.514730 (E_RNA)
where:
Base-Base interactions energy: -38.190
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.191
local terms energy: -54.134289
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -86.830172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.830172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.830172 (E_RNA)
where:
Base-Base interactions energy: -34.653
where: short stacking energy: -24.788
Base-Backbone interact. energy: -0.281
local terms energy: -51.895836
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -77.955567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.955567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.955567 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -21.715
Base-Backbone interact. energy: -0.054
local terms energy: -46.862990
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -80.748921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.748921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.748921 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -28.556
Base-Backbone interact. energy: -0.110
local terms energy: -52.083570
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -81.219124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219124 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -18.506
Base-Backbone interact. energy: -0.071
local terms energy: -55.193234
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -216.895409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895409 (E_RNA)
where:
Base-Base interactions energy: -135.664
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.076
local terms energy: -81.155232
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -211.141676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141676 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -72.318
Base-Backbone interact. energy: -0.045
local terms energy: -75.775100
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -21.860
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: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -214.187997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.187997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.187997 (E_RNA)
where:
Base-Base interactions energy: -135.909
where: short stacking energy: -65.990
Base-Backbone interact. energy: -0.037
local terms energy: -78.241893
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -192.304211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.304211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304211 (E_RNA)
where:
Base-Base interactions energy: -121.727
where: short stacking energy: -61.247
Base-Backbone interact. energy: -0.093
local terms energy: -70.484797
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -161.015679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.015679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.015679 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -52.589
Base-Backbone interact. energy: -0.185
local terms energy: -64.578057
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -89.352723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352723 (E_RNA)
where:
Base-Base interactions energy: -42.993
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.466
local terms energy: -45.893340
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -74.857779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.857779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.857779 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.357
local terms energy: -48.664283
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -77.414097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.414097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.414097 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -24.903
Base-Backbone interact. energy: 2.445
local terms energy: -51.210485
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -80.763386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.763386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.763386 (E_RNA)
where:
Base-Base interactions energy: -22.720
where: short stacking energy: -22.720
Base-Backbone interact. energy: -0.103
local terms energy: -57.941246
where:
bonds (distance) C4'-P energy: -8.071
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -83.916963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916963 (E_RNA)
where:
Base-Base interactions energy: -41.450
where: short stacking energy: -35.758
Base-Backbone interact. energy: -0.172
local terms energy: -42.295744
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -218.195197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.195197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.195197 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.506
local terms energy: -83.326232
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.921
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: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -216.549025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.549025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.549025 (E_RNA)
where:
Base-Base interactions energy: -133.730
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.192
local terms energy: -82.626934
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.051
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: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -209.789514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.789514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.789514 (E_RNA)
where:
Base-Base interactions energy: -129.297
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.002
local terms energy: -80.491204
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -179.726067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.726067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.726067 (E_RNA)
where:
Base-Base interactions energy: -111.584
where: short stacking energy: -52.198
Base-Backbone interact. energy: -0.049
local terms energy: -68.092785
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -152.490061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.490061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.490061 (E_RNA)
where:
Base-Base interactions energy: -81.201
where: short stacking energy: -41.471
Base-Backbone interact. energy: -1.240
local terms energy: -70.049080
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.356
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: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -107.401203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.401203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.401203 (E_RNA)
where:
Base-Base interactions energy: -50.771
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.214
local terms energy: -56.416209
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -90.701067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.701067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.701067 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.173
local terms energy: -56.274623
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -6.449
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -79.161709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.161709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.161709 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.179
local terms energy: -53.619364
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -87.534532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.534532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.534532 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.006
local terms energy: -53.393811
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -70.167661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.167661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.167661 (E_RNA)
where:
Base-Base interactions energy: -23.223
where: short stacking energy: -18.614
Base-Backbone interact. energy: 0.032
local terms energy: -46.976920
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: 0.142
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: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -221.020913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020913 (E_RNA)
where:
Base-Base interactions energy: -140.688
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.027
local terms energy: -80.305177
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -214.158508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.158508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.158508 (E_RNA)
where:
Base-Base interactions energy: -135.545
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.036
local terms energy: -78.578075
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -192.470339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.470339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.470339 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -57.039
Base-Backbone interact. energy: 2.233
local terms energy: -73.522667
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.078
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -192.535825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.535825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.535825 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.754
local terms energy: -68.595657
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -164.680742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.680742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.680742 (E_RNA)
where:
Base-Base interactions energy: -102.319
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.340
local terms energy: -62.021614
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -93.955843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.955843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.955843 (E_RNA)
where:
Base-Base interactions energy: -42.803
where: short stacking energy: -24.676
Base-Backbone interact. energy: 0.292
local terms energy: -51.444859
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: 3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -83.908835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908835 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -34.845
Base-Backbone interact. energy: -0.094
local terms energy: -48.970245
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -78.213774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.213774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.213774 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -28.471
Base-Backbone interact. energy: 0.056
local terms energy: -43.824011
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -80.635725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635725 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -24.271
Base-Backbone interact. energy: 2.876
local terms energy: -51.961543
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -5.923
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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -75.289914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289914 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -22.511
Base-Backbone interact. energy: 0.185
local terms energy: -38.463489
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -216.416476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.416476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.416476 (E_RNA)
where:
Base-Base interactions energy: -140.756
where: short stacking energy: -63.459
Base-Backbone interact. energy: -0.040
local terms energy: -75.620273
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -219.891140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.891140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.891140 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.407
local terms energy: -79.112325
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -24.022
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: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -187.313409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.313409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.313409 (E_RNA)
where:
Base-Base interactions energy: -113.322
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.014
local terms energy: -73.977579
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -17.091
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: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -171.634880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.634880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.634880 (E_RNA)
where:
Base-Base interactions energy: -101.207
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.178
local terms energy: -70.250146
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -13.186
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: 439
Temperature: 1.100000
Total energy: -205.278966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.278966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.278966 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.026
local terms energy: -64.533037
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -20.390
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: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -91.351080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351080 (E_RNA)
where:
Base-Base interactions energy: -35.470
where: short stacking energy: -35.470
Base-Backbone interact. energy: -0.079
local terms energy: -55.801252
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -79.010951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010951 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -24.461
Base-Backbone interact. energy: -0.245
local terms energy: -48.776072
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -85.806134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.806134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.806134 (E_RNA)
where:
Base-Base interactions energy: -33.463
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.153
local terms energy: -52.189708
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -77.171624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.171624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.171624 (E_RNA)
where:
Base-Base interactions energy: -30.450
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.109
local terms energy: -46.612087
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.957674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.957674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.957674 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -23.495
Base-Backbone interact. energy: -0.076
local terms energy: -45.097702
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -217.365620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.365620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.365620 (E_RNA)
where:
Base-Base interactions energy: -137.376
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.051
local terms energy: -79.938793
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -209.474619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.474619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.474619 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -55.283
Base-Backbone interact. energy: -1.214
local terms energy: -74.108341
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -16.708
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -195.050813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.050813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.050813 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.027
local terms energy: -75.951917
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -168.463099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.463099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.463099 (E_RNA)
where:
Base-Base interactions energy: -100.889
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.099
local terms energy: -67.475160
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -17.603
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: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -192.404250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.404250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.404250 (E_RNA)
where:
Base-Base interactions energy: -120.742
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.164
local terms energy: -71.498308
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -84.015414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015414 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.046
local terms energy: -50.215138
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -6.874
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -95.726908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.726908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.726908 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.082
local terms energy: -61.923156
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -84.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.504230 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.143
local terms energy: -53.496725
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -3.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -74.288185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.288185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.288185 (E_RNA)
where:
Base-Base interactions energy: -27.320
where: short stacking energy: -26.180
Base-Backbone interact. energy: -0.066
local terms energy: -46.902618
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -10.551
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: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -66.913781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.913781 (E_RNA)
where:
Base-Base interactions energy: -13.813
where: short stacking energy: -13.487
Base-Backbone interact. energy: 0.943
local terms energy: -54.044380
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -218.806024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.806024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.806024 (E_RNA)
where:
Base-Base interactions energy: -139.225
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.605
local terms energy: -78.976233
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -209.126737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.126737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.126737 (E_RNA)
where:
Base-Base interactions energy: -130.943
where: short stacking energy: -63.919
Base-Backbone interact. energy: 0.647
local terms energy: -78.830745
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.625
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -204.958734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958734 (E_RNA)
where:
Base-Base interactions energy: -132.502
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.741
local terms energy: -71.716529
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -203.337164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.337164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.337164 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.135
local terms energy: -73.907843
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -11.713
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: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -162.114245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.114245 (E_RNA)
where:
Base-Base interactions energy: -99.170
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.157
local terms energy: -62.787669
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -93.934324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.934324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.934324 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -40.225
Base-Backbone interact. energy: 0.793
local terms energy: -54.503121
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -91.350665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350665 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -30.122
Base-Backbone interact. energy: 1.107
local terms energy: -55.840058
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -95.191563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.191563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.191563 (E_RNA)
where:
Base-Base interactions energy: -49.321
where: short stacking energy: -37.388
Base-Backbone interact. energy: 3.032
local terms energy: -48.902487
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -78.580535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580535 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.101
local terms energy: -42.131839
where:
bonds (distance) C4'-P energy: -7.276
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.737435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.737435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.737435 (E_RNA)
where:
Base-Base interactions energy: -26.159
where: short stacking energy: -17.509
Base-Backbone interact. energy: -0.064
local terms energy: -47.514965
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -215.319536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.319536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319536 (E_RNA)
where:
Base-Base interactions energy: -133.541
where: short stacking energy: -65.527
Base-Backbone interact. energy: 0.228
local terms energy: -82.006417
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -21.946
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -188.447462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.447462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.447462 (E_RNA)
where:
Base-Base interactions energy: -126.416
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.040
local terms energy: -61.991406
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -212.982563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.982563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.982563 (E_RNA)
where:
Base-Base interactions energy: -133.642
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.015
local terms energy: -79.325128
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -23.437
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: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -198.745252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.745252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.745252 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -62.018
Base-Backbone interact. energy: 1.818
local terms energy: -72.819233
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -160.151755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.151755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.151755 (E_RNA)
where:
Base-Base interactions energy: -97.960
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.103
local terms energy: -62.088139
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -90.147705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.147705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.147705 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -25.680
Base-Backbone interact. energy: -0.191
local terms energy: -48.251367
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -0.074
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -116.000324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.000324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.000324 (E_RNA)
where:
Base-Base interactions energy: -61.122
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.842
local terms energy: -54.036691
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -87.798141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.798141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.798141 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -32.928
Base-Backbone interact. energy: -0.065
local terms energy: -49.647851
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -76.522863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.522863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.522863 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -25.330
Base-Backbone interact. energy: 0.071
local terms energy: -51.021841
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: 1.652
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: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -75.999785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.999785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.999785 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -15.288
Base-Backbone interact. energy: 0.093
local terms energy: -47.131730
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: 1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -217.879521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.879521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.879521 (E_RNA)
where:
Base-Base interactions energy: -137.964
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.025
local terms energy: -79.890897
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -215.611274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.611274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.611274 (E_RNA)
where:
Base-Base interactions energy: -140.744
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.116
local terms energy: -74.751178
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -23.371
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -187.995121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995121 (E_RNA)
where:
Base-Base interactions energy: -115.268
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.099
local terms energy: -72.627950
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -197.888068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.888068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.888068 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -60.518
Base-Backbone interact. energy: 0.714
local terms energy: -66.969343
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -178.270318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.270318 (E_RNA)
where:
Base-Base interactions energy: -104.587
where: short stacking energy: -51.704
Base-Backbone interact. energy: -0.005
local terms energy: -73.679039
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -106.599792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599792 (E_RNA)
where:
Base-Base interactions energy: -48.297
where: short stacking energy: -48.297
Base-Backbone interact. energy: -0.002
local terms energy: -58.300910
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -11.099
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -108.576225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.576225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.576225 (E_RNA)
where:
Base-Base interactions energy: -62.716
where: short stacking energy: -34.986
Base-Backbone interact. energy: -0.511
local terms energy: -45.349333
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -78.047859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.047859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.047859 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -22.588
Base-Backbone interact. energy: -0.111
local terms energy: -49.141358
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -69.665338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.665338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.665338 (E_RNA)
where:
Base-Base interactions energy: -25.732
where: short stacking energy: -15.506
Base-Backbone interact. energy: -0.252
local terms energy: -43.680689
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: 2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -78.026138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.026138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.026138 (E_RNA)
where:
Base-Base interactions energy: -24.694
where: short stacking energy: -24.694
Base-Backbone interact. energy: -0.311
local terms energy: -53.021280
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -215.920365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.920365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.920365 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.011
local terms energy: -77.451814
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -21.854
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -214.103097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.103097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.103097 (E_RNA)
where:
Base-Base interactions energy: -135.637
where: short stacking energy: -61.203
Base-Backbone interact. energy: 1.258
local terms energy: -79.723236
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -208.567712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.567712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.567712 (E_RNA)
where:
Base-Base interactions energy: -136.146
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.580
local terms energy: -71.842425
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -177.173128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.173128 (E_RNA)
where:
Base-Base interactions energy: -105.076
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.294
local terms energy: -71.802827
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -152.178690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.178690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.178690 (E_RNA)
where:
Base-Base interactions energy: -90.275
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.005
local terms energy: -61.898500
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -101.979096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.979096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.979096 (E_RNA)
where:
Base-Base interactions energy: -46.364
where: short stacking energy: -36.480
Base-Backbone interact. energy: -1.078
local terms energy: -54.536511
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.399
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: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -95.270468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.270468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.270468 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.032
local terms energy: -62.089341
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -9.204
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: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -81.118167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.118167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.118167 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -17.961
Base-Backbone interact. energy: -0.159
local terms energy: -51.870409
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -76.286135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.286135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.286135 (E_RNA)
where:
Base-Base interactions energy: -22.466
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.019
local terms energy: -53.801278
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -77.876276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.876276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.876276 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -32.718
Base-Backbone interact. energy: 0.020
local terms energy: -45.178129
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -212.929858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.929858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.929858 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.067
local terms energy: -78.678347
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -214.619927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.619927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.619927 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.173
local terms energy: -76.902999
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -14.583
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -212.682487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682487 (E_RNA)
where:
Base-Base interactions energy: -135.680
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.108
local terms energy: -76.894238
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -184.198689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.198689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.198689 (E_RNA)
where:
Base-Base interactions energy: -120.549
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.005
local terms energy: -63.645294
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -174.104700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.104700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.104700 (E_RNA)
where:
Base-Base interactions energy: -115.066
where: short stacking energy: -48.302
Base-Backbone interact. energy: -0.014
local terms energy: -59.025207
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -98.218298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.218298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.218298 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.017
local terms energy: -65.978871
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -8.804
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -84.257929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257929 (E_RNA)
where:
Base-Base interactions energy: -39.228
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.173
local terms energy: -44.857083
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -13.572
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -72.373303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.373303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.373303 (E_RNA)
where:
Base-Base interactions energy: -27.311
where: short stacking energy: -21.783
Base-Backbone interact. energy: -0.070
local terms energy: -44.992289
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: 4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -76.400578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.400578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.400578 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -21.477
Base-Backbone interact. energy: -0.275
local terms energy: -54.017925
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -69.632338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.632338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.632338 (E_RNA)
where:
Base-Base interactions energy: -34.209
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.223
local terms energy: -35.200534
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: 3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -218.601993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.601993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.601993 (E_RNA)
where:
Base-Base interactions energy: -140.139
where: short stacking energy: -65.124
Base-Backbone interact. energy: -1.690
local terms energy: -76.772747
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.027
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: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -210.558958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.558958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.558958 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.280
local terms energy: -73.648555
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -209.731228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.731228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.731228 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.109
local terms energy: -76.655047
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.557
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: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -195.651514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.651514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.651514 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.001
local terms energy: -74.575669
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -6.682
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -101.027860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.027860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.027860 (E_RNA)
where:
Base-Base interactions energy: -48.897
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.019
local terms energy: -52.111763
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -153.526160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.526160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.526160 (E_RNA)
where:
Base-Base interactions energy: -99.207
where: short stacking energy: -43.560
Base-Backbone interact. energy: 0.638
local terms energy: -54.957473
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -9.343
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: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -94.573358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.573358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.573358 (E_RNA)
where:
Base-Base interactions energy: -35.294
where: short stacking energy: -35.294
Base-Backbone interact. energy: -0.157
local terms energy: -59.122178
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -80.871414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871414 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.177
local terms energy: -40.956188
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -77.274907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274907 (E_RNA)
where:
Base-Base interactions energy: -30.061
where: short stacking energy: -15.693
Base-Backbone interact. energy: -0.240
local terms energy: -46.973945
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -72.977660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.977660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.977660 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -19.525
Base-Backbone interact. energy: 1.703
local terms energy: -45.535497
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -7.580
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: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -215.725018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.725018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.725018 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -64.503
Base-Backbone interact. energy: -1.287
local terms energy: -79.819042
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -215.091654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091654 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.234
local terms energy: -72.677186
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -205.748729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.748729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748729 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.128
local terms energy: -71.825126
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -171.743808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743808 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.221
local terms energy: -72.370013
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -106.497830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.497830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.497830 (E_RNA)
where:
Base-Base interactions energy: -57.551
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.669
local terms energy: -48.278390
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -9.375
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -80.542475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.542475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.542475 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -11.027
Base-Backbone interact. energy: -0.233
local terms energy: -46.147785
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -91.436055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.436055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.436055 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -26.893
Base-Backbone interact. energy: 0.698
local terms energy: -57.674408
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -4.235
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: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -82.096925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.096925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.096925 (E_RNA)
where:
Base-Base interactions energy: -34.164
where: short stacking energy: -28.476
Base-Backbone interact. energy: 0.779
local terms energy: -48.712002
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -81.257316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.257316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.257316 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -19.796
Base-Backbone interact. energy: -0.289
local terms energy: -50.398755
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -76.478111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.478111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.478111 (E_RNA)
where:
Base-Base interactions energy: -23.999
where: short stacking energy: -23.999
Base-Backbone interact. energy: -0.105
local terms energy: -52.374501
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -219.591641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.591641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.591641 (E_RNA)
where:
Base-Base interactions energy: -134.760
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.025
local terms energy: -84.807019
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -224.181929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.181929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.181929 (E_RNA)
where:
Base-Base interactions energy: -139.627
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.219
local terms energy: -84.336489
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -14.692
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: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -172.747206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.747206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.747206 (E_RNA)
where:
Base-Base interactions energy: -102.927
where: short stacking energy: -56.482
Base-Backbone interact. energy: -1.064
local terms energy: -68.756261
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -200.012412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.012412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.012412 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.164
local terms energy: -72.196153
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -9.335
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: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -106.430167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.430167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.430167 (E_RNA)
where:
Base-Base interactions energy: -50.574
where: short stacking energy: -37.344
Base-Backbone interact. energy: -0.527
local terms energy: -55.328829
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -93.666030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.666030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.666030 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -36.656
Base-Backbone interact. energy: -0.012
local terms energy: -56.998022
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -89.406238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406238 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.095
local terms energy: -52.947935
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -3.866
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: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -89.395503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395503 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.164
local terms energy: -55.715263
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -7.371
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -81.081572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.081572 (E_RNA)
where:
Base-Base interactions energy: -24.787
where: short stacking energy: -24.787
Base-Backbone interact. energy: 1.576
local terms energy: -57.871166
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -6.570
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: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -73.941252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.941252 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -21.413
Base-Backbone interact. energy: -0.174
local terms energy: -43.580925
where:
bonds (distance) C4'-P energy: -7.847
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -213.113239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.113239 (E_RNA)
where:
Base-Base interactions energy: -133.371
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.348
local terms energy: -79.394705
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -173.336641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336641 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.128
local terms energy: -64.250278
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.542
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: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -212.649705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.649705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.649705 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.428
local terms energy: -76.318335
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -202.484573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.484573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.484573 (E_RNA)
where:
Base-Base interactions energy: -124.073
where: short stacking energy: -62.475
Base-Backbone interact. energy: 0.374
local terms energy: -78.785861
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -98.179948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.179948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.179948 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.016
local terms energy: -59.116086
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -106.367313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.367313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.367313 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -35.329
Base-Backbone interact. energy: -0.367
local terms energy: -58.158385
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -6.075
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: 449
Temperature: 1.200000
Total energy: -89.567647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.567647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.567647 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.029
local terms energy: -59.068173
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -89.189112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189112 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -26.764
Base-Backbone interact. energy: -0.069
local terms energy: -56.891348
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -6.007
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -94.056729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056729 (E_RNA)
where:
Base-Base interactions energy: -53.703
where: short stacking energy: -24.531
Base-Backbone interact. energy: -0.274
local terms energy: -40.080271
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -70.819021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.819021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.819021 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -15.960
Base-Backbone interact. energy: -0.227
local terms energy: -39.513525
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 0.291
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: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -217.380624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380624 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -67.698
Base-Backbone interact. energy: -0.228
local terms energy: -78.412131
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -175.283931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.283931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.283931 (E_RNA)
where:
Base-Base interactions energy: -117.965
where: short stacking energy: -47.022
Base-Backbone interact. energy: 0.598
local terms energy: -57.916556
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -210.458604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.458604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.458604 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.018
local terms energy: -80.194288
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -195.263187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.263187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.263187 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.316
local terms energy: -72.350263
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.852
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: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -98.270195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.270195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.270195 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.024
local terms energy: -59.585885
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -104.775127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.775127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.775127 (E_RNA)
where:
Base-Base interactions energy: -48.741
where: short stacking energy: -29.515
Base-Backbone interact. energy: 0.012
local terms energy: -56.046161
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -97.626275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626275 (E_RNA)
where:
Base-Base interactions energy: -50.247
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.267
local terms energy: -47.111827
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -82.325946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.325946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.325946 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -30.560
Base-Backbone interact. energy: 0.051
local terms energy: -49.972990
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: 1.444
tors. eta vs tors. theta energy: -11.214
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: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -79.851078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851078 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -25.935
Base-Backbone interact. energy: 1.617
local terms energy: -55.532997
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -9.872
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: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -76.759794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.759794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.759794 (E_RNA)
where:
Base-Base interactions energy: -26.467
where: short stacking energy: -24.335
Base-Backbone interact. energy: -0.157
local terms energy: -50.135309
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -1.094
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -225.076446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.076446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.076446 (E_RNA)
where:
Base-Base interactions energy: -143.607
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.009
local terms energy: -81.460485
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -22.343
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: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -218.672045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672045 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.482
local terms energy: -81.966960
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -22.609
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: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -174.825547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.825547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.825547 (E_RNA)
where:
Base-Base interactions energy: -117.235
where: short stacking energy: -50.861
Base-Backbone interact. energy: -0.130
local terms energy: -57.460918
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -167.984040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.984040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.984040 (E_RNA)
where:
Base-Base interactions energy: -104.627
where: short stacking energy: -55.499
Base-Backbone interact. energy: -1.076
local terms energy: -62.280469
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -103.915955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.915955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.915955 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.200
local terms energy: -60.985693
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -88.567371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567371 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.173
local terms energy: -57.618458
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -5.956
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: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -115.461012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.461012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.461012 (E_RNA)
where:
Base-Base interactions energy: -61.400
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.312
local terms energy: -53.749089
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -83.383741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383741 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.157
local terms energy: -51.884917
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.654325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.654325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.654325 (E_RNA)
where:
Base-Base interactions energy: -25.370
where: short stacking energy: -25.370
Base-Backbone interact. energy: 0.755
local terms energy: -55.039465
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -78.607765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.607765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.607765 (E_RNA)
where:
Base-Base interactions energy: -33.069
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.035
local terms energy: -45.504077
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -218.318151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318151 (E_RNA)
where:
Base-Base interactions energy: -141.332
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.087
local terms energy: -76.899982
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -216.638209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.638209 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.439
local terms energy: -74.111192
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -178.328088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.328088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.328088 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.061
local terms energy: -63.475487
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -151.284559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.284559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.284559 (E_RNA)
where:
Base-Base interactions energy: -83.132
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.327
local terms energy: -67.825743
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -9.968
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: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -101.549233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.549233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.549233 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -41.211
Base-Backbone interact. energy: 0.076
local terms energy: -60.413787
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -8.075
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: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -97.043209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.043209 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -40.164
Base-Backbone interact. energy: -0.204
local terms energy: -55.542233
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -11.360
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -98.522765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.522765 (E_RNA)
where:
Base-Base interactions energy: -39.327
where: short stacking energy: -39.327
Base-Backbone interact. energy: -0.111
local terms energy: -59.084409
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -121.118399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.118399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.118399 (E_RNA)
where:
Base-Base interactions energy: -67.568
where: short stacking energy: -44.435
Base-Backbone interact. energy: -0.258
local terms energy: -53.292044
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -81.970021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.970021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.970021 (E_RNA)
where:
Base-Base interactions energy: -26.644
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.220
local terms energy: -55.105889
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.305466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.305466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.305466 (E_RNA)
where:
Base-Base interactions energy: -25.390
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.053
local terms energy: -51.863227
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -214.875865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.875865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.875865 (E_RNA)
where:
Base-Base interactions energy: -135.945
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.084
local terms energy: -78.846142
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -22.822
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -197.765837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.765837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.765837 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.863
local terms energy: -75.305546
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -206.214741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.214741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.214741 (E_RNA)
where:
Base-Base interactions energy: -131.907
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.067
local terms energy: -74.240733
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.141
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: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -165.084389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.084389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.084389 (E_RNA)
where:
Base-Base interactions energy: -102.070
where: short stacking energy: -55.622
Base-Backbone interact. energy: -0.097
local terms energy: -62.917129
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -105.166549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.166549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.166549 (E_RNA)
where:
Base-Base interactions energy: -52.989
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.337
local terms energy: -51.840422
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -107.071594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071594 (E_RNA)
where:
Base-Base interactions energy: -47.209
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.055
local terms energy: -59.807687
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -80.778075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778075 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -27.239
Base-Backbone interact. energy: 0.714
local terms energy: -50.816528
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -125.787179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.787179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.787179 (E_RNA)
where:
Base-Base interactions energy: -70.439
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.727
local terms energy: -54.621566
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -83.778652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.778652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.778652 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -32.157
Base-Backbone interact. energy: 1.802
local terms energy: -52.967621
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -2.699
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: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -73.568351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.568351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.568351 (E_RNA)
where:
Base-Base interactions energy: -22.316
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.180
local terms energy: -51.072245
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -215.255628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.255628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.255628 (E_RNA)
where:
Base-Base interactions energy: -140.110
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.043
local terms energy: -75.102661
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -204.424788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.424788 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.070
local terms energy: -69.270221
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -13.651
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: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -208.692157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.692157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.692157 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.100
local terms energy: -74.542762
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.859
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -177.608927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.608927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.608927 (E_RNA)
where:
Base-Base interactions energy: -109.261
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.213
local terms energy: -68.134953
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -85.105581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105581 (E_RNA)
where:
Base-Base interactions energy: -30.122
where: short stacking energy: -30.122
Base-Backbone interact. energy: -0.541
local terms energy: -54.442953
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -90.201510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.201510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.201510 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.042
local terms energy: -49.614981
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -85.562532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562532 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.291
local terms energy: -52.895557
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -80.854251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854251 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.016
local terms energy: -47.008914
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.796
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: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -111.509156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.509156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.509156 (E_RNA)
where:
Base-Base interactions energy: -58.358
where: short stacking energy: -28.146
Base-Backbone interact. energy: -0.161
local terms energy: -52.990858
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -9.076
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: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -74.722672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.722672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.722672 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.252
local terms energy: -38.762609
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -222.511578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.511578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.511578 (E_RNA)
where:
Base-Base interactions energy: -137.836
where: short stacking energy: -65.697
Base-Backbone interact. energy: -0.704
local terms energy: -83.971510
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -14.722
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: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -205.731486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.731486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.731486 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.537
local terms energy: -71.717439
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -188.852582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852582 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.049
local terms energy: -66.167181
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -13.729
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: 455
Temperature: 1.050000
Total energy: -176.580691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.580691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.580691 (E_RNA)
where:
Base-Base interactions energy: -107.210
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.080
local terms energy: -69.291526
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.583
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: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -93.690587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.690587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.690587 (E_RNA)
where:
Base-Base interactions energy: -37.899
where: short stacking energy: -37.899
Base-Backbone interact. energy: 1.061
local terms energy: -56.853147
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -8.097
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: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -90.324307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.324307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.324307 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.044
local terms energy: -54.598564
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -10.837
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: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -102.015527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.015527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.015527 (E_RNA)
where:
Base-Base interactions energy: -49.734
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.104
local terms energy: -52.177425
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -84.551814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.551814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.551814 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -20.747
Base-Backbone interact. energy: -0.339
local terms energy: -47.758544
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: 1.062
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: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -70.144709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.144709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.144709 (E_RNA)
where:
Base-Base interactions energy: -18.239
where: short stacking energy: -18.239
Base-Backbone interact. energy: -0.274
local terms energy: -51.631189
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -68.957277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.957277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.957277 (E_RNA)
where:
Base-Base interactions energy: -21.077
where: short stacking energy: -17.303
Base-Backbone interact. energy: -0.390
local terms energy: -47.489660
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: 2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -219.098844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098844 (E_RNA)
where:
Base-Base interactions energy: -144.800
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.103
local terms energy: -74.195899
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -221.126446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.126446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.126446 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -68.170
Base-Backbone interact. energy: -0.016
local terms energy: -79.169384
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -22.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -188.217201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.217201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.217201 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -49.646
Base-Backbone interact. energy: -1.230
local terms energy: -66.296983
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -6.073
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: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -169.495026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.495026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.495026 (E_RNA)
where:
Base-Base interactions energy: -103.227
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.243
local terms energy: -66.024619
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -109.885630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.885630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.885630 (E_RNA)
where:
Base-Base interactions energy: -46.227
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.008
local terms energy: -63.651103
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -84.638232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.638232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.638232 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -22.536
Base-Backbone interact. energy: -1.534
local terms energy: -46.805665
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -109.707343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.707343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.707343 (E_RNA)
where:
Base-Base interactions energy: -53.968
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.522
local terms energy: -55.218112
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -4.923
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: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -85.043151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043151 (E_RNA)
where:
Base-Base interactions energy: -34.605
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.211
local terms energy: -50.227499
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -80.354582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.354582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.354582 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.108
local terms energy: -49.560323
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -72.473541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.473541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.473541 (E_RNA)
where:
Base-Base interactions energy: -23.562
where: short stacking energy: -16.676
Base-Backbone interact. energy: -1.113
local terms energy: -47.799100
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: 4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -218.767933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.767933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.767933 (E_RNA)
where:
Base-Base interactions energy: -138.228
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.294
local terms energy: -80.245271
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.875
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: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -208.141182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.141182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.141182 (E_RNA)
where:
Base-Base interactions energy: -138.806
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.172
local terms energy: -69.163257
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -12.742
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: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -188.417195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.417195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.417195 (E_RNA)
where:
Base-Base interactions energy: -122.160
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.076
local terms energy: -66.181637
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -176.052156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.052156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.052156 (E_RNA)
where:
Base-Base interactions energy: -113.450
where: short stacking energy: -54.097
Base-Backbone interact. energy: -0.015
local terms energy: -62.587370
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -87.951356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.951356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.951356 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.019
local terms energy: -55.153137
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -119.924171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.924171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.924171 (E_RNA)
where:
Base-Base interactions energy: -66.296
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.394
local terms energy: -53.233724
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -93.232351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.232351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.232351 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.096
local terms energy: -57.859382
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -79.606587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606587 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.080
local terms energy: -48.301535
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -76.508022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.508022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.508022 (E_RNA)
where:
Base-Base interactions energy: -22.625
where: short stacking energy: -21.758
Base-Backbone interact. energy: -1.073
local terms energy: -52.810077
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -2.513
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: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.260410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.260410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.260410 (E_RNA)
where:
Base-Base interactions energy: -29.669
where: short stacking energy: -29.669
Base-Backbone interact. energy: -0.059
local terms energy: -51.532285
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -221.577834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.577834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.577834 (E_RNA)
where:
Base-Base interactions energy: -137.761
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.008
local terms energy: -83.809135
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -10.038
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: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -211.583437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.583437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.583437 (E_RNA)
where:
Base-Base interactions energy: -138.869
where: short stacking energy: -65.559
Base-Backbone interact. energy: -0.047
local terms energy: -72.667708
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -17.610
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: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -190.488897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.488897 (E_RNA)
where:
Base-Base interactions energy: -117.432
where: short stacking energy: -54.933
Base-Backbone interact. energy: -0.004
local terms energy: -73.052626
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -168.083949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.083949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.083949 (E_RNA)
where:
Base-Base interactions energy: -109.993
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.036
local terms energy: -58.054622
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -97.497260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497260 (E_RNA)
where:
Base-Base interactions energy: -44.195
where: short stacking energy: -44.195
Base-Backbone interact. energy: -0.017
local terms energy: -53.285521
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -79.672060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672060 (E_RNA)
where:
Base-Base interactions energy: -30.861
where: short stacking energy: -28.138
Base-Backbone interact. energy: 0.169
local terms energy: -48.980063
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -0.907
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -97.225491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.225491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.225491 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.159
local terms energy: -51.701394
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -7.551
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: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.730880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730880 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -33.673
Base-Backbone interact. energy: -0.124
local terms energy: -53.933213
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -8.187
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: 458
Temperature: 1.300000
Total energy: -80.255226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255226 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.007
local terms energy: -50.725243
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.640300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.640300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.640300 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.033
local terms energy: -49.421508
where:
bonds (distance) C4'-P energy: -7.592
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -8.586
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: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -219.134861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.134861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.134861 (E_RNA)
where:
Base-Base interactions energy: -137.306
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.030
local terms energy: -81.798935
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -202.147873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.147873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.147873 (E_RNA)
where:
Base-Base interactions energy: -126.489
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.043
local terms energy: -75.615603
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -182.785907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.785907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.785907 (E_RNA)
where:
Base-Base interactions energy: -114.393
where: short stacking energy: -50.749
Base-Backbone interact. energy: -0.036
local terms energy: -68.356706
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -196.579318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.579318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.579318 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.005
local terms energy: -72.302985
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -96.812461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.812461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.812461 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.109
local terms energy: -53.629974
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -90.955685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955685 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -28.835
Base-Backbone interact. energy: 1.062
local terms energy: -58.650690
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -4.358
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: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -84.618451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.618451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.618451 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -29.545
Base-Backbone interact. energy: -0.232
local terms energy: -51.715411
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -79.471652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.471652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.471652 (E_RNA)
where:
Base-Base interactions energy: -22.083
where: short stacking energy: -20.222
Base-Backbone interact. energy: -0.133
local terms energy: -57.255171
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -4.972
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: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -75.414005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.414005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.414005 (E_RNA)
where:
Base-Base interactions energy: -20.684
where: short stacking energy: -20.684
Base-Backbone interact. energy: -0.041
local terms energy: -54.689079
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -70.527736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.527736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.527736 (E_RNA)
where:
Base-Base interactions energy: -18.477
where: short stacking energy: -15.138
Base-Backbone interact. energy: -0.077
local terms energy: -51.973662
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -202.420299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.420299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.420299 (E_RNA)
where:
Base-Base interactions energy: -129.660
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.024
local terms energy: -72.736260
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -217.030278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.030278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.030278 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.011
local terms energy: -78.457857
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -23.405
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: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -196.389433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.389433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.389433 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.024
local terms energy: -71.900307
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -177.629242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.629242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.629242 (E_RNA)
where:
Base-Base interactions energy: -118.225
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.225
local terms energy: -59.179557
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -91.863215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.863215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.863215 (E_RNA)
where:
Base-Base interactions energy: -37.658
where: short stacking energy: -35.899
Base-Backbone interact. energy: -0.031
local terms energy: -54.174807
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -10.144
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: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -101.739739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.739739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.739739 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -40.905
Base-Backbone interact. energy: -0.049
local terms energy: -60.289915
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -100.042988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.042988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.042988 (E_RNA)
where:
Base-Base interactions energy: -44.323
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.094
local terms energy: -55.626661
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -7.950
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: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -79.341405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.341405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.341405 (E_RNA)
where:
Base-Base interactions energy: -26.997
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.101
local terms energy: -52.242743
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -82.397261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397261 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -27.143
Base-Backbone interact. energy: -0.079
local terms energy: -52.276440
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -1.564
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: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -74.105940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.105940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.105940 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -17.081
Base-Backbone interact. energy: -0.455
local terms energy: -43.478014
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -216.918367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.918367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.918367 (E_RNA)
where:
Base-Base interactions energy: -138.073
where: short stacking energy: -66.428
Base-Backbone interact. energy: -0.059
local terms energy: -78.786052
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -206.170582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.170582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.170582 (E_RNA)
where:
Base-Base interactions energy: -131.306
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.020
local terms energy: -74.844418
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -193.369273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.369273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.369273 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.069
local terms energy: -69.332976
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -183.520245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.520245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.520245 (E_RNA)
where:
Base-Base interactions energy: -109.447
where: short stacking energy: -53.380
Base-Backbone interact. energy: -1.097
local terms energy: -72.976260
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -99.408838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.408838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.408838 (E_RNA)
where:
Base-Base interactions energy: -45.578
where: short stacking energy: -45.578
Base-Backbone interact. energy: -0.429
local terms energy: -53.401259
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -1.196
tors. eta vs tors. theta energy: -9.881
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -92.650839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650839 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -25.134
Base-Backbone interact. energy: -0.287
local terms energy: -61.146275
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -88.476068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.476068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.476068 (E_RNA)
where:
Base-Base interactions energy: -39.212
where: short stacking energy: -39.212
Base-Backbone interact. energy: 0.517
local terms energy: -49.781010
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -82.618040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.618040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.618040 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.333
local terms energy: -49.123236
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -88.995071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.995071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.995071 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -24.008
Base-Backbone interact. energy: -0.176
local terms energy: -42.278762
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -84.771560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771560 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -18.760
Base-Backbone interact. energy: 0.172
local terms energy: -45.320300
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -220.524897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.524897 (E_RNA)
where:
Base-Base interactions energy: -138.220
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.432
local terms energy: -81.873474
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -208.305048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.305048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.305048 (E_RNA)
where:
Base-Base interactions energy: -135.896
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.037
local terms energy: -72.371824
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -12.399
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: 462
Temperature: 1.000000
Total energy: -197.599337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.599337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.599337 (E_RNA)
where:
Base-Base interactions energy: -128.630
where: short stacking energy: -49.162
Base-Backbone interact. energy: 0.835
local terms energy: -69.803881
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -15.449
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: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -178.057513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.057513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.057513 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.379
local terms energy: -68.334328
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -95.198051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.198051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.198051 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -29.924
Base-Backbone interact. energy: -0.157
local terms energy: -56.428106
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -1.303
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: 462
Temperature: 1.150000
Total energy: -96.835539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.835539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.835539 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -31.918
Base-Backbone interact. energy: 0.435
local terms energy: -65.352430
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -115.909999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.909999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.909999 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.011
local terms energy: -61.166361
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -14.270
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: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -74.431500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431500 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -27.494
Base-Backbone interact. energy: 1.655
local terms energy: -45.388055
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -78.592255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.592255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.592255 (E_RNA)
where:
Base-Base interactions energy: -31.139
where: short stacking energy: -14.355
Base-Backbone interact. energy: -1.201
local terms energy: -46.252117
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -79.607263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.607263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.607263 (E_RNA)
where:
Base-Base interactions energy: -31.841
where: short stacking energy: -25.119
Base-Backbone interact. energy: -0.087
local terms energy: -47.680129
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -217.614629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.614629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.614629 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.030
local terms energy: -76.413905
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -201.723922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.723922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.723922 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -59.948
Base-Backbone interact. energy: 0.460
local terms energy: -71.848695
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -17.008
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: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -206.269217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.269217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.269217 (E_RNA)
where:
Base-Base interactions energy: -133.988
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.131
local terms energy: -72.150839
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -199.263564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.263564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.263564 (E_RNA)
where:
Base-Base interactions energy: -132.621
where: short stacking energy: -52.064
Base-Backbone interact. energy: -0.117
local terms energy: -66.525774
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -98.917139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917139 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.213
local terms energy: -49.692291
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -106.956858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.956858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.956858 (E_RNA)
where:
Base-Base interactions energy: -51.360
where: short stacking energy: -51.360
Base-Backbone interact. energy: -0.029
local terms energy: -55.568375
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -14.819
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: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -97.412625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.412625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.412625 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -43.345
Base-Backbone interact. energy: -0.015
local terms energy: -54.053305
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -73.621733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.621733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.621733 (E_RNA)
where:
Base-Base interactions energy: -24.825
where: short stacking energy: -24.260
Base-Backbone interact. energy: -0.249
local terms energy: -48.547959
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -82.023702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023702 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -24.889
Base-Backbone interact. energy: 1.737
local terms energy: -51.334411
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -72.169565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.169565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.169565 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -18.726
Base-Backbone interact. energy: -0.179
local terms energy: -36.389131
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -6.289
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: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -207.360531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.360531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.360531 (E_RNA)
where:
Base-Base interactions energy: -128.355
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.522
local terms energy: -78.483912
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.719
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: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -218.838373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.838373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.838373 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -63.089
Base-Backbone interact. energy: -1.034
local terms energy: -77.498912
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -19.071
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: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -212.768744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.768744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.768744 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -61.906
Base-Backbone interact. energy: -0.009
local terms energy: -81.412516
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.534
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: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -185.864303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.864303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.864303 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.021
local terms energy: -74.254560
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -10.866
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: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -110.081542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.081542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.081542 (E_RNA)
where:
Base-Base interactions energy: -46.801
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.113
local terms energy: -63.167657
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.816
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: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -93.395579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.395579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.395579 (E_RNA)
where:
Base-Base interactions energy: -39.151
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.299
local terms energy: -53.945001
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -11.227
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: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -91.150649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.150649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.150649 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.295
local terms energy: -58.133008
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -80.964400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.964400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.964400 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.209
local terms energy: -43.309824
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -83.200560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.200560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.200560 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -20.118
Base-Backbone interact. energy: -0.440
local terms energy: -52.734244
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -72.859184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859184 (E_RNA)
where:
Base-Base interactions energy: -25.745
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.220
local terms energy: -46.893917
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -208.147509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147509 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.090
local terms energy: -76.543170
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -211.434907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.434907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.434907 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.035
local terms energy: -72.303808
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -206.271313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271313 (E_RNA)
where:
Base-Base interactions energy: -130.658
where: short stacking energy: -61.382
Base-Backbone interact. energy: 0.070
local terms energy: -75.683698
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -182.817451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.817451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.817451 (E_RNA)
where:
Base-Base interactions energy: -117.534
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.135
local terms energy: -65.147994
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -104.945938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.945938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.945938 (E_RNA)
where:
Base-Base interactions energy: -41.680
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.808
local terms energy: -62.457369
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -11.704
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: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -88.430779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430779 (E_RNA)
where:
Base-Base interactions energy: -43.782
where: short stacking energy: -35.005
Base-Backbone interact. energy: -1.327
local terms energy: -43.321564
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -2.029
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -120.982784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.982784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.982784 (E_RNA)
where:
Base-Base interactions energy: -62.088
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.107
local terms energy: -58.787499
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -93.120895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120895 (E_RNA)
where:
Base-Base interactions energy: -42.377
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.710
local terms energy: -50.034264
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -93.238359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238359 (E_RNA)
where:
Base-Base interactions energy: -46.651
where: short stacking energy: -35.497
Base-Backbone interact. energy: 1.900
local terms energy: -48.487250
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -74.548397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.548397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.548397 (E_RNA)
where:
Base-Base interactions energy: -22.445
where: short stacking energy: -8.038
Base-Backbone interact. energy: -0.240
local terms energy: -51.863206
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -6.640
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: 466
Temperature: 0.900000
Total energy: -211.153216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.153216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.153216 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.004
local terms energy: -76.962364
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.953
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: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -212.129367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.129367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.129367 (E_RNA)
where:
Base-Base interactions energy: -135.340
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.507
local terms energy: -76.282588
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -12.031
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: 466
Temperature: 1.000000
Total energy: -211.344130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.344130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.344130 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -62.735
Base-Backbone interact. energy: -0.006
local terms energy: -82.492529
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -169.502898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.502898 (E_RNA)
where:
Base-Base interactions energy: -104.120
where: short stacking energy: -42.181
Base-Backbone interact. energy: -0.177
local terms energy: -65.206388
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -95.525571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.525571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.525571 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.010
local terms energy: -49.189884
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -0.999
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -99.248447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.248447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.248447 (E_RNA)
where:
Base-Base interactions energy: -43.064
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.106
local terms energy: -56.078593
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -98.028072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.028072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.028072 (E_RNA)
where:
Base-Base interactions energy: -45.855
where: short stacking energy: -34.485
Base-Backbone interact. energy: 0.003
local terms energy: -52.176425
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -90.484461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484461 (E_RNA)
where:
Base-Base interactions energy: -35.524
where: short stacking energy: -34.886
Base-Backbone interact. energy: 2.533
local terms energy: -57.493077
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -86.129621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129621 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.146
local terms energy: -52.189940
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -71.387342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.387342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.387342 (E_RNA)
where:
Base-Base interactions energy: -23.009
where: short stacking energy: -16.659
Base-Backbone interact. energy: -1.452
local terms energy: -46.926043
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -2.306
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: 467
Temperature: 0.900000
Total energy: -195.955933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.955933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.955933 (E_RNA)
where:
Base-Base interactions energy: -128.720
where: short stacking energy: -48.046
Base-Backbone interact. energy: -0.034
local terms energy: -67.201883
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -211.837446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837446 (E_RNA)
where:
Base-Base interactions energy: -137.555
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.260
local terms energy: -74.022682
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -209.777843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.777843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777843 (E_RNA)
where:
Base-Base interactions energy: -134.809
where: short stacking energy: -65.035
Base-Backbone interact. energy: -0.038
local terms energy: -74.931482
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.463
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -178.473341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.473341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.473341 (E_RNA)
where:
Base-Base interactions energy: -112.363
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.692
local terms energy: -65.418499
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -17.181
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -93.194183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.194183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.194183 (E_RNA)
where:
Base-Base interactions energy: -29.536
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.001
local terms energy: -63.657321
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -8.314
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: 467
Temperature: 1.150000
Total energy: -98.490491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.490491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.490491 (E_RNA)
where:
Base-Base interactions energy: -54.319
where: short stacking energy: -38.611
Base-Backbone interact. energy: -0.042
local terms energy: -44.128855
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -4.744
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: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -85.130775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.130775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.130775 (E_RNA)
where:
Base-Base interactions energy: -32.548
where: short stacking energy: -28.933
Base-Backbone interact. energy: 0.579
local terms energy: -53.161099
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -81.308323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.308323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.308323 (E_RNA)
where:
Base-Base interactions energy: -24.314
where: short stacking energy: -24.314
Base-Backbone interact. energy: -0.065
local terms energy: -56.928931
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -76.579462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.579462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.579462 (E_RNA)
where:
Base-Base interactions energy: -27.165
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.007
local terms energy: -49.407827
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -5.935
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: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -71.344896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.344896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.344896 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.091
local terms energy: -40.286100
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -216.647541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.647541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.647541 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.010
local terms energy: -79.805010
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -200.622897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.622897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.622897 (E_RNA)
where:
Base-Base interactions energy: -128.690
where: short stacking energy: -59.849
Base-Backbone interact. energy: -0.132
local terms energy: -71.800917
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.393
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -212.242054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.242054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.242054 (E_RNA)
where:
Base-Base interactions energy: -133.977
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.928
local terms energy: -77.336732
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -12.295
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: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -183.382097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382097 (E_RNA)
where:
Base-Base interactions energy: -109.786
where: short stacking energy: -45.543
Base-Backbone interact. energy: -0.176
local terms energy: -73.420242
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -13.627
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: 468
Temperature: 1.100000
Total energy: -128.196658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.196658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.196658 (E_RNA)
where:
Base-Base interactions energy: -69.780
where: short stacking energy: -39.297
Base-Backbone interact. energy: -0.344
local terms energy: -58.073278
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -8.513
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: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -104.766463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.766463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.766463 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -42.457
Base-Backbone interact. energy: -0.001
local terms energy: -61.872456
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -9.658
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: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -104.439140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.439140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.439140 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -29.083
Base-Backbone interact. energy: 0.565
local terms energy: -56.569518
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -7.616
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: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -86.147157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.147157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.147157 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -25.675
Base-Backbone interact. energy: -0.245
local terms energy: -49.861933
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -74.643873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.643873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.643873 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -29.148
Base-Backbone interact. energy: 1.595
local terms energy: -47.005986
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -79.360562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.360562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.360562 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -24.645
Base-Backbone interact. energy: -0.039
local terms energy: -49.730200
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -213.876071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.876071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.876071 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -68.942
Base-Backbone interact. energy: -0.164
local terms energy: -73.635445
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.725
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: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -208.204359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.204359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.204359 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.363
local terms energy: -81.438556
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -190.987607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.987607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.987607 (E_RNA)
where:
Base-Base interactions energy: -129.087
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.131
local terms energy: -61.769370
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.728
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -166.840464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.840464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.840464 (E_RNA)
where:
Base-Base interactions energy: -103.788
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.060
local terms energy: -62.992023
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -121.704957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.704957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.704957 (E_RNA)
where:
Base-Base interactions energy: -60.189
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.032
local terms energy: -61.484788
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -103.842735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.842735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.842735 (E_RNA)
where:
Base-Base interactions energy: -46.209
where: short stacking energy: -18.627
Base-Backbone interact. energy: -0.108
local terms energy: -57.525056
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -77.353031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.353031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.353031 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -20.663
Base-Backbone interact. energy: -0.147
local terms energy: -45.606736
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: 2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -79.373975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.373975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.373975 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.487
local terms energy: -48.087354
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -78.713802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713802 (E_RNA)
where:
Base-Base interactions energy: -36.700
where: short stacking energy: -25.137
Base-Backbone interact. energy: 0.005
local terms energy: -42.018880
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -6.444
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: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -81.750687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750687 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.115
local terms energy: -54.505324
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -222.142896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142896 (E_RNA)
where:
Base-Base interactions energy: -142.391
where: short stacking energy: -68.243
Base-Backbone interact. energy: -0.003
local terms energy: -79.748713
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -221.609447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.609447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.609447 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.752
local terms energy: -77.665817
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.035
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: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -179.176771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.176771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.176771 (E_RNA)
where:
Base-Base interactions energy: -108.590
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.064
local terms energy: -70.522748
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.582
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: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -169.048674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.048674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.048674 (E_RNA)
where:
Base-Base interactions energy: -107.745
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.201
local terms energy: -61.102475
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -8.759
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -11.461
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -144.361299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.361299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.361299 (E_RNA)
where:
Base-Base interactions energy: -84.942
where: short stacking energy: -35.008
Base-Backbone interact. energy: -0.302
local terms energy: -59.117369
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -93.699328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.699328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.699328 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.026
local terms energy: -59.426058
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -85.156369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.156369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.156369 (E_RNA)
where:
Base-Base interactions energy: -35.243
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.307
local terms energy: -49.606896
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -86.765859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.765859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.765859 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.247
local terms energy: -55.213487
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -9.751
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: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -111.895318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.895318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.895318 (E_RNA)
where:
Base-Base interactions energy: -63.584
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.100
local terms energy: -48.211125
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -75.585466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.585466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.585466 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.047
local terms energy: -36.096162
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -224.215301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.215301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.215301 (E_RNA)
where:
Base-Base interactions energy: -145.077
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.016
local terms energy: -79.123004
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -22.926
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: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -214.055842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.055842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.055842 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -65.367
Base-Backbone interact. energy: 0.404
local terms energy: -74.764298
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -21.030
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: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -168.627731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.627731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.627731 (E_RNA)
where:
Base-Base interactions energy: -98.315
where: short stacking energy: -54.923
Base-Backbone interact. energy: -0.038
local terms energy: -70.274511
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -159.959870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.959870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.959870 (E_RNA)
where:
Base-Base interactions energy: -98.547
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.102
local terms energy: -61.310537
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -4.304
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: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -151.664044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.664044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.664044 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -45.039
Base-Backbone interact. energy: -1.075
local terms energy: -62.907548
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -98.020277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.020277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.020277 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -40.878
Base-Backbone interact. energy: -0.148
local terms energy: -56.814948
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -98.305755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.305755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.305755 (E_RNA)
where:
Base-Base interactions energy: -40.859
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.116
local terms energy: -57.330723
where:
bonds (distance) C4'-P energy: -6.971
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -85.343002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343002 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -31.399
Base-Backbone interact. energy: -0.336
local terms energy: -53.608004
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -90.616811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616811 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -29.263
Base-Backbone interact. energy: -0.040
local terms energy: -57.452790
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -4.590
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.463720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463720 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -24.004
Base-Backbone interact. energy: 0.167
local terms energy: -45.904673
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -217.859493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.859493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.859493 (E_RNA)
where:
Base-Base interactions energy: -137.002
where: short stacking energy: -64.450
Base-Backbone interact. energy: 0.337
local terms energy: -81.194706
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -22.734
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -219.445861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.445861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.445861 (E_RNA)
where:
Base-Base interactions energy: -145.181
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.037
local terms energy: -74.227581
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -171.399687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.399687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.399687 (E_RNA)
where:
Base-Base interactions energy: -101.222
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.534
local terms energy: -69.643551
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -15.174
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: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -179.351924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.351924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.351924 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.084
local terms energy: -70.967432
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -148.323707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.323707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.323707 (E_RNA)
where:
Base-Base interactions energy: -76.344
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.035
local terms energy: -71.944729
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -9.615
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: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -107.909679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.909679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.909679 (E_RNA)
where:
Base-Base interactions energy: -55.024
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.088
local terms energy: -52.797925
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -87.879372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.879372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.879372 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -34.281
Base-Backbone interact. energy: -0.261
local terms energy: -50.446196
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -90.348796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.348796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.348796 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -33.201
Base-Backbone interact. energy: -0.112
local terms energy: -57.036128
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.562345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.562345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.562345 (E_RNA)
where:
Base-Base interactions energy: -27.200
where: short stacking energy: -25.381
Base-Backbone interact. energy: -0.187
local terms energy: -48.174365
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -75.944007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.944007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.944007 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.837
local terms energy: -41.435994
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -9.669
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: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -212.761765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.761765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761765 (E_RNA)
where:
Base-Base interactions energy: -136.118
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.041
local terms energy: -76.602442
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -207.622092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622092 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.717
local terms energy: -74.544687
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.631
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: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -163.429872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.429872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.429872 (E_RNA)
where:
Base-Base interactions energy: -95.608
where: short stacking energy: -47.739
Base-Backbone interact. energy: -0.019
local terms energy: -67.803069
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -192.053946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.053946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.053946 (E_RNA)
where:
Base-Base interactions energy: -124.287
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.001
local terms energy: -67.765624
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -160.297341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.297341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.297341 (E_RNA)
where:
Base-Base interactions energy: -97.289
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.076
local terms energy: -62.933048
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -5.665
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: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -82.611806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.611806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.611806 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -27.961
Base-Backbone interact. energy: -0.391
local terms energy: -52.194996
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -78.277616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.277616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.277616 (E_RNA)
where:
Base-Base interactions energy: -22.266
where: short stacking energy: -21.112
Base-Backbone interact. energy: -0.302
local terms energy: -55.709485
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -96.221606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221606 (E_RNA)
where:
Base-Base interactions energy: -40.027
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.386
local terms energy: -55.808446
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -10.279
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: 473
Temperature: 1.300000
Total energy: -78.299829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.299829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.299829 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.031
local terms energy: -42.596289
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -1.518
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -89.672187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.672187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.672187 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.175
local terms energy: -51.518217
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -210.494978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.494978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.494978 (E_RNA)
where:
Base-Base interactions energy: -135.396
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.062
local terms energy: -75.037073
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -18.198
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -216.613109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613109 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.069
local terms energy: -74.509319
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -22.010
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: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -200.788411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.788411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.788411 (E_RNA)
where:
Base-Base interactions energy: -129.701
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.134
local terms energy: -70.952722
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -20.069
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: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -161.121297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.121297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.121297 (E_RNA)
where:
Base-Base interactions energy: -91.903
where: short stacking energy: -47.678
Base-Backbone interact. energy: -0.193
local terms energy: -69.025048
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -168.372734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.372734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.372734 (E_RNA)
where:
Base-Base interactions energy: -95.610
where: short stacking energy: -45.431
Base-Backbone interact. energy: -1.002
local terms energy: -71.760513
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -13.072
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: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -103.924735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.924735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.924735 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -35.774
Base-Backbone interact. energy: -0.010
local terms energy: -66.858597
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -83.888486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.888486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.888486 (E_RNA)
where:
Base-Base interactions energy: -42.423
where: short stacking energy: -14.134
Base-Backbone interact. energy: -0.416
local terms energy: -41.048696
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: 3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -85.513050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.513050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.513050 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.290
local terms energy: -59.593987
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -74.710898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.710898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.710898 (E_RNA)
where:
Base-Base interactions energy: -25.906
where: short stacking energy: -24.812
Base-Backbone interact. energy: -0.271
local terms energy: -48.533876
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -1.182
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: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -79.599061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599061 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.021
local terms energy: -50.102310
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -216.458765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.458765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.458765 (E_RNA)
where:
Base-Base interactions energy: -135.356
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.234
local terms energy: -80.868666
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -214.448501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448501 (E_RNA)
where:
Base-Base interactions energy: -137.674
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.562
local terms energy: -76.212266
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -21.638
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: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -211.414919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414919 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.580
local terms energy: -81.916255
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -18.956
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: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -164.397742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.397742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.397742 (E_RNA)
where:
Base-Base interactions energy: -108.883
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.095
local terms energy: -55.419322
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -174.754236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.754236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.754236 (E_RNA)
where:
Base-Base interactions energy: -114.502
where: short stacking energy: -50.550
Base-Backbone interact. energy: -0.336
local terms energy: -59.916265
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -7.688
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -87.882048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882048 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.045
local terms energy: -58.434370
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -5.148
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: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -93.429275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.429275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.429275 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -35.236
Base-Backbone interact. energy: -0.205
local terms energy: -57.988356
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -85.680775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680775 (E_RNA)
where:
Base-Base interactions energy: -35.610
where: short stacking energy: -23.563
Base-Backbone interact. energy: -0.118
local terms energy: -49.952933
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -71.535827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.535827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.535827 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -20.819
Base-Backbone interact. energy: 0.661
local terms energy: -42.200291
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -76.494293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494293 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.196
local terms energy: -43.226745
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: 4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -221.685457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.685457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.685457 (E_RNA)
where:
Base-Base interactions energy: -146.252
where: short stacking energy: -69.681
Base-Backbone interact. energy: 0.695
local terms energy: -76.128151
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.111
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: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -218.353178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353178 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.018
local terms energy: -77.344690
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -23.206
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: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -213.731507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731507 (E_RNA)
where:
Base-Base interactions energy: -134.000
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.000
local terms energy: -79.731676
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -169.710247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.710247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.710247 (E_RNA)
where:
Base-Base interactions energy: -106.260
where: short stacking energy: -44.015
Base-Backbone interact. energy: -0.264
local terms energy: -63.186327
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -163.494419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.494419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.494419 (E_RNA)
where:
Base-Base interactions energy: -97.701
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.154
local terms energy: -65.639090
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -86.284461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.284461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.284461 (E_RNA)
where:
Base-Base interactions energy: -30.116
where: short stacking energy: -30.116
Base-Backbone interact. energy: -0.041
local terms energy: -56.127755
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -101.929870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.929870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.929870 (E_RNA)
where:
Base-Base interactions energy: -47.591
where: short stacking energy: -28.933
Base-Backbone interact. energy: -1.018
local terms energy: -53.321058
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -88.338340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.338340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.338340 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -24.192
Base-Backbone interact. energy: 0.085
local terms energy: -53.196965
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -88.036635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.036635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.036635 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.218
local terms energy: -51.726031
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.075144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.075144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.075144 (E_RNA)
where:
Base-Base interactions energy: -33.968
where: short stacking energy: -16.981
Base-Backbone interact. energy: -0.831
local terms energy: -43.275997
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -223.796853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.796853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.796853 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.053
local terms energy: -83.299995
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -210.406674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.406674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406674 (E_RNA)
where:
Base-Base interactions energy: -139.453
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.421
local terms energy: -70.532931
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -210.722071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.722071 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -60.852
Base-Backbone interact. energy: -1.022
local terms energy: -70.413457
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -16.522
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -172.611978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.611978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.611978 (E_RNA)
where:
Base-Base interactions energy: -103.939
where: short stacking energy: -48.210
Base-Backbone interact. energy: 0.795
local terms energy: -69.468573
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -14.553
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: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -152.052185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.052185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.052185 (E_RNA)
where:
Base-Base interactions energy: -86.433
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.034
local terms energy: -65.584906
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.219
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: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -99.132532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.132532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.132532 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.016
local terms energy: -64.258210
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -99.698725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698725 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.094
local terms energy: -58.544640
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -4.793
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: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -79.609012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.609012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.609012 (E_RNA)
where:
Base-Base interactions energy: -25.327
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.337
local terms energy: -53.945322
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -7.031
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: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -85.054693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.054693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.054693 (E_RNA)
where:
Base-Base interactions energy: -38.566
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.756
local terms energy: -45.732710
where:
bonds (distance) C4'-P energy: -5.590
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -8.359
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: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.129473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129473 (E_RNA)
where:
Base-Base interactions energy: -27.310
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.364
local terms energy: -49.455636
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -217.015117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.015117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.015117 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.057
local terms energy: -78.594199
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -221.153706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.153706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.153706 (E_RNA)
where:
Base-Base interactions energy: -142.840
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.019
local terms energy: -78.294792
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -201.770354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.770354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.770354 (E_RNA)
where:
Base-Base interactions energy: -133.734
where: short stacking energy: -56.149
Base-Backbone interact. energy: -1.096
local terms energy: -66.940880
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -168.059134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.059134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.059134 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.124
local terms energy: -63.862040
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -9.340
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: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -164.644599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644599 (E_RNA)
where:
Base-Base interactions energy: -99.215
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.002
local terms energy: -65.427718
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -14.664
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: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -101.725696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.725696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.725696 (E_RNA)
where:
Base-Base interactions energy: -47.646
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.248
local terms energy: -53.831339
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -5.956
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: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -99.347447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.347447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.347447 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.449
local terms energy: -51.305599
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -0.912
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -83.341237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.341237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.341237 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -25.185
Base-Backbone interact. energy: 0.138
local terms energy: -49.859746
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -83.748079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.748079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.748079 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -22.040
Base-Backbone interact. energy: -0.132
local terms energy: -53.224206
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -69.406183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.406183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.406183 (E_RNA)
where:
Base-Base interactions energy: -22.159
where: short stacking energy: -20.789
Base-Backbone interact. energy: 0.407
local terms energy: -47.654232
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -1.524
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: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -220.472129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.472129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.472129 (E_RNA)
where:
Base-Base interactions energy: -137.962
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.070
local terms energy: -82.440094
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -217.544057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.544057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.544057 (E_RNA)
where:
Base-Base interactions energy: -141.688
where: short stacking energy: -64.437
Base-Backbone interact. energy: 1.720
local terms energy: -77.575947
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -22.619
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: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -206.375345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.375345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.375345 (E_RNA)
where:
Base-Base interactions energy: -126.169
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.030
local terms energy: -80.176969
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -183.490982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.490982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.490982 (E_RNA)
where:
Base-Base interactions energy: -111.750
where: short stacking energy: -51.771
Base-Backbone interact. energy: -0.072
local terms energy: -71.669338
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -141.392633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.392633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.392633 (E_RNA)
where:
Base-Base interactions energy: -87.402
where: short stacking energy: -34.418
Base-Backbone interact. energy: -0.431
local terms energy: -53.559603
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -80.109007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.109007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.109007 (E_RNA)
where:
Base-Base interactions energy: -33.919
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.191
local terms energy: -45.998658
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -5.601
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: 479
Temperature: 1.200000
Total energy: -94.355919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.355919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.355919 (E_RNA)
where:
Base-Base interactions energy: -46.965
where: short stacking energy: -36.343
Base-Backbone interact. energy: -0.148
local terms energy: -47.243521
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -2.943
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -81.772483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772483 (E_RNA)
where:
Base-Base interactions energy: -31.075
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.005
local terms energy: -50.692322
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -75.849048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.849048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.849048 (E_RNA)
where:
Base-Base interactions energy: -28.545
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.221
local terms energy: -47.083393
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -64.228966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.228966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.228966 (E_RNA)
where:
Base-Base interactions energy: -17.537
where: short stacking energy: -16.905
Base-Backbone interact. energy: -0.017
local terms energy: -46.674376
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -214.696819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696819 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -64.930
Base-Backbone interact. energy: -0.032
local terms energy: -75.120534
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -220.038042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.038042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038042 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.003
local terms energy: -81.515741
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -208.052833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.052833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.052833 (E_RNA)
where:
Base-Base interactions energy: -130.319
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.766
local terms energy: -76.967998
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -167.910186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.910186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.910186 (E_RNA)
where:
Base-Base interactions energy: -112.470
where: short stacking energy: -45.384
Base-Backbone interact. energy: -0.313
local terms energy: -55.127451
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -130.702263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.702263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.702263 (E_RNA)
where:
Base-Base interactions energy: -71.957
where: short stacking energy: -43.956
Base-Backbone interact. energy: -0.126
local terms energy: -58.619134
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -6.996
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: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -94.142809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.142809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.142809 (E_RNA)
where:
Base-Base interactions energy: -40.412
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.093
local terms energy: -53.637981
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -4.445
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: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -101.531064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.531064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.531064 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -33.019
Base-Backbone interact. energy: -0.411
local terms energy: -55.894608
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -101.800250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.800250 (E_RNA)
where:
Base-Base interactions energy: -55.321
where: short stacking energy: -25.802
Base-Backbone interact. energy: -0.180
local terms energy: -46.298903
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -91.127600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.127600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.127600 (E_RNA)
where:
Base-Base interactions energy: -42.963
where: short stacking energy: -20.232
Base-Backbone interact. energy: -0.218
local terms energy: -47.946388
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -1.542
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: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.458967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458967 (E_RNA)
where:
Base-Base interactions energy: -30.149
where: short stacking energy: -30.149
Base-Backbone interact. energy: 3.188
local terms energy: -52.498685
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -206.993746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.993746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.993746 (E_RNA)
where:
Base-Base interactions energy: -136.369
where: short stacking energy: -69.414
Base-Backbone interact. energy: -0.010
local terms energy: -70.614556
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -214.594569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594569 (E_RNA)
where:
Base-Base interactions energy: -143.113
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.229
local terms energy: -71.252278
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.515
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: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -213.800395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.800395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.800395 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -67.340
Base-Backbone interact. energy: -0.022
local terms energy: -82.706009
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -173.577381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.577381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577381 (E_RNA)
where:
Base-Base interactions energy: -110.996
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.026
local terms energy: -62.555398
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -7.554
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: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -158.187452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.187452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.187452 (E_RNA)
where:
Base-Base interactions energy: -93.524
where: short stacking energy: -38.260
Base-Backbone interact. energy: -0.360
local terms energy: -64.303505
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -7.256
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: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -104.102244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.102244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.102244 (E_RNA)
where:
Base-Base interactions energy: -52.328
where: short stacking energy: -32.997
Base-Backbone interact. energy: -1.197
local terms energy: -50.577366
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -88.633972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633972 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -33.915
Base-Backbone interact. energy: 1.369
local terms energy: -55.867802
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.096
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -122.213699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.213699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.213699 (E_RNA)
where:
Base-Base interactions energy: -71.101
where: short stacking energy: -38.342
Base-Backbone interact. energy: -1.654
local terms energy: -49.458639
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -79.373757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.373757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.373757 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -34.661
Base-Backbone interact. energy: -0.011
local terms energy: -42.274808
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -75.418405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.418405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.418405 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.009
local terms energy: -47.922398
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -214.222647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.222647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.222647 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.021
local terms energy: -77.403467
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -20.024
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: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -212.846416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.846416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.846416 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.001
local terms energy: -78.080240
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -206.805757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.805757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.805757 (E_RNA)
where:
Base-Base interactions energy: -131.402
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.598
local terms energy: -74.805596
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -159.020863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020863 (E_RNA)
where:
Base-Base interactions energy: -97.176
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.171
local terms energy: -61.673640
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -10.850
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -141.364483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364483 (E_RNA)
where:
Base-Base interactions energy: -71.520
where: short stacking energy: -44.555
Base-Backbone interact. energy: 1.468
local terms energy: -71.312817
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -12.192
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: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -107.486763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.486763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.486763 (E_RNA)
where:
Base-Base interactions energy: -59.102
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.107
local terms energy: -48.277522
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -89.721267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721267 (E_RNA)
where:
Base-Base interactions energy: -41.802
where: short stacking energy: -22.512
Base-Backbone interact. energy: -0.226
local terms energy: -47.692585
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -4.325
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: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -84.575176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575176 (E_RNA)
where:
Base-Base interactions energy: -31.172
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.310
local terms energy: -53.093222
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -79.389522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.389522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.389522 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -14.810
Base-Backbone interact. energy: -0.507
local terms energy: -50.662068
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -71.478039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.478039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.478039 (E_RNA)
where:
Base-Base interactions energy: -26.368
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.475
local terms energy: -44.634758
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -219.004426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.004426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.004426 (E_RNA)
where:
Base-Base interactions energy: -141.419
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.014
local terms energy: -77.571299
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -209.890438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.890438 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.334
local terms energy: -76.803907
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -19.869
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: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -205.591581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.591581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.591581 (E_RNA)
where:
Base-Base interactions energy: -127.229
where: short stacking energy: -66.637
Base-Backbone interact. energy: -0.466
local terms energy: -77.897232
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -22.545
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: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -174.955538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.955538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.955538 (E_RNA)
where:
Base-Base interactions energy: -106.862
where: short stacking energy: -45.136
Base-Backbone interact. energy: -0.360
local terms energy: -67.733898
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -142.030997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.030997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.030997 (E_RNA)
where:
Base-Base interactions energy: -88.882
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.431
local terms energy: -52.718745
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.242
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: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -100.676482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676482 (E_RNA)
where:
Base-Base interactions energy: -49.976
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.197
local terms energy: -50.503442
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -95.283300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283300 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.036
local terms energy: -59.665281
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -5.976
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: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -88.734356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734356 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -36.214
Base-Backbone interact. energy: 1.412
local terms energy: -44.063021
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -80.879321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.879321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.879321 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -27.660
Base-Backbone interact. energy: -0.186
local terms energy: -44.824130
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -66.060742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.060742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.060742 (E_RNA)
where:
Base-Base interactions energy: -14.285
where: short stacking energy: -14.296
Base-Backbone interact. energy: -0.128
local terms energy: -51.647448
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -222.930556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.930556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.930556 (E_RNA)
where:
Base-Base interactions energy: -143.701
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.044
local terms energy: -79.185856
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -21.876
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: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -185.306275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.306275 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.479
local terms energy: -66.322542
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -214.173444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173444 (E_RNA)
where:
Base-Base interactions energy: -135.197
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.132
local terms energy: -78.844211
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -160.252542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.252542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.252542 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.024
local terms energy: -63.112695
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.028
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -100.026291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.026291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.026291 (E_RNA)
where:
Base-Base interactions energy: -45.916
where: short stacking energy: -38.233
Base-Backbone interact. energy: -0.082
local terms energy: -54.028547
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -138.849150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.849150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.849150 (E_RNA)
where:
Base-Base interactions energy: -82.796
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.232
local terms energy: -55.821922
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -92.675881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675881 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -25.961
Base-Backbone interact. energy: 0.712
local terms energy: -49.342756
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -77.515506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.515506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.515506 (E_RNA)
where:
Base-Base interactions energy: -24.286
where: short stacking energy: -18.224
Base-Backbone interact. energy: -0.127
local terms energy: -53.103230
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -72.335970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.335970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.335970 (E_RNA)
where:
Base-Base interactions energy: -22.350
where: short stacking energy: -18.167
Base-Backbone interact. energy: 1.754
local terms energy: -51.739687
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -71.824346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.824346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.824346 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.184
local terms energy: -39.808945
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -7.765
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.564
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: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -214.258093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.258093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.258093 (E_RNA)
where:
Base-Base interactions energy: -136.169
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.602
local terms energy: -77.486682
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.449
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: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -217.666048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.666048 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.107
local terms energy: -79.069281
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -173.660973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.660973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.660973 (E_RNA)
where:
Base-Base interactions energy: -108.666
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.130
local terms energy: -64.864368
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.925
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: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -164.189892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.189892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.189892 (E_RNA)
where:
Base-Base interactions energy: -96.591
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.039
local terms energy: -67.559492
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -12.530
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: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -102.730591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.730591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.730591 (E_RNA)
where:
Base-Base interactions energy: -41.813
where: short stacking energy: -40.342
Base-Backbone interact. energy: -0.731
local terms energy: -60.186448
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -124.702206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.702206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.702206 (E_RNA)
where:
Base-Base interactions energy: -64.469
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.104
local terms energy: -60.129708
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -8.513
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: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -93.757375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.757375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.757375 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.103
local terms energy: -55.901439
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -6.201
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: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -76.150154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.150154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.150154 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -22.076
Base-Backbone interact. energy: 0.420
local terms energy: -49.100890
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -78.298175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.298175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.298175 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.053
local terms energy: -49.723240
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -0.509
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: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -87.627087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.627087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.627087 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -35.252
Base-Backbone interact. energy: 1.706
local terms energy: -52.309366
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -215.911263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.911263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.911263 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.588
local terms energy: -78.996689
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.792
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: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -217.877790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.877790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.877790 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.004
local terms energy: -76.641726
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -23.283
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: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -162.558956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.558956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.558956 (E_RNA)
where:
Base-Base interactions energy: -93.929
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.011
local terms energy: -68.619332
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -165.903156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.903156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.903156 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.158
local terms energy: -71.907513
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.086
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -98.533891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533891 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.006
local terms energy: -62.599656
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -5.091
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -110.205547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.205547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.205547 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.729
local terms energy: -60.001835
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -84.216241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216241 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.041
local terms energy: -58.483963
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -5.610
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: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -83.962670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.962670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.962670 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -25.889
Base-Backbone interact. energy: 0.001
local terms energy: -50.822059
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -74.755132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.755132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.755132 (E_RNA)
where:
Base-Base interactions energy: -23.362
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.825
local terms energy: -50.568323
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -76.916615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.916615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.916615 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -27.545
Base-Backbone interact. energy: 0.965
local terms energy: -50.336969
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -4.562
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -219.328325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.328325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.328325 (E_RNA)
where:
Base-Base interactions energy: -141.083
where: short stacking energy: -68.291
Base-Backbone interact. energy: -0.147
local terms energy: -78.097848
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -21.658
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: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -182.375986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.375986 (E_RNA)
where:
Base-Base interactions energy: -107.797
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.003
local terms energy: -74.575951
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -12.066
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: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -209.873754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873754 (E_RNA)
where:
Base-Base interactions energy: -137.040
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.012
local terms energy: -72.821395
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.047
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: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -175.125455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.125455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.125455 (E_RNA)
where:
Base-Base interactions energy: -100.606
where: short stacking energy: -63.922
Base-Backbone interact. energy: -0.212
local terms energy: -74.306817
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -110.113920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.113920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.113920 (E_RNA)
where:
Base-Base interactions energy: -53.828
where: short stacking energy: -40.709
Base-Backbone interact. energy: -0.039
local terms energy: -56.246917
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -9.797
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -92.965164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.965164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.965164 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.146
local terms energy: -61.158574
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -89.475250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.475250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.475250 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -27.294
Base-Backbone interact. energy: -1.033
local terms energy: -48.891176
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -82.576511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576511 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -24.394
Base-Backbone interact. energy: 0.911
local terms energy: -58.527429
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: 0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -77.741874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.741874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.741874 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -28.229
Base-Backbone interact. energy: -0.035
local terms energy: -49.477217
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -94.410829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410829 (E_RNA)
where:
Base-Base interactions energy: -35.628
where: short stacking energy: -34.199
Base-Backbone interact. energy: -0.104
local terms energy: -58.679095
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -5.982
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: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -219.785324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.785324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.785324 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.006
local terms energy: -76.500644
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -169.251248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.251248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.251248 (E_RNA)
where:
Base-Base interactions energy: -101.766
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.008
local terms energy: -67.477434
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -12.437
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: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -214.207003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.207003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.207003 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -63.596
Base-Backbone interact. energy: -0.041
local terms energy: -81.168992
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -167.353136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.353136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.353136 (E_RNA)
where:
Base-Base interactions energy: -101.614
where: short stacking energy: -48.260
Base-Backbone interact. energy: -1.100
local terms energy: -64.639034
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.950
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -110.646276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.646276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.646276 (E_RNA)
where:
Base-Base interactions energy: -55.586
where: short stacking energy: -36.002
Base-Backbone interact. energy: 1.200
local terms energy: -56.260355
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -97.237865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237865 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.189
local terms energy: -51.136922
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -86.257953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257953 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -24.540
Base-Backbone interact. energy: -0.034
local terms energy: -54.165631
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -79.388345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.388345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.388345 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -29.234
Base-Backbone interact. energy: 5.633
local terms energy: -50.741089
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -86.972806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.972806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.972806 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.003
local terms energy: -56.317438
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -8.450
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: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -79.315264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.315264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.315264 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -29.534
Base-Backbone interact. energy: -0.422
local terms energy: -49.359374
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -3.771
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: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -210.320363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.320363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.320363 (E_RNA)
where:
Base-Base interactions energy: -132.236
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.193
local terms energy: -77.892144
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -23.615
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: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -212.304055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.304055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.304055 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.194
local terms energy: -75.021743
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -166.370633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.370633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.370633 (E_RNA)
where:
Base-Base interactions energy: -101.357
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.042
local terms energy: -64.971021
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.460
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: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -173.253516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.253516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.253516 (E_RNA)
where:
Base-Base interactions energy: -105.386
where: short stacking energy: -53.990
Base-Backbone interact. energy: 0.885
local terms energy: -68.752353
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -117.143687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.143687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.143687 (E_RNA)
where:
Base-Base interactions energy: -51.158
where: short stacking energy: -50.948
Base-Backbone interact. energy: -0.004
local terms energy: -65.981977
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.822
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: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -112.660175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.660175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.660175 (E_RNA)
where:
Base-Base interactions energy: -59.361
where: short stacking energy: -47.212
Base-Backbone interact. energy: -0.713
local terms energy: -52.586839
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -7.132
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: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -85.283643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283643 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -32.799
Base-Backbone interact. energy: 0.659
local terms energy: -47.900488
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -91.158973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158973 (E_RNA)
where:
Base-Base interactions energy: -33.402
where: short stacking energy: -32.098
Base-Backbone interact. energy: -0.078
local terms energy: -57.678616
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -82.048785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.048785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.048785 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -11.425
Base-Backbone interact. energy: -0.277
local terms energy: -47.490260
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -85.895295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.895295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.895295 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.151
local terms energy: -46.398366
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -223.474978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.474978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.474978 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.016
local terms energy: -84.075572
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -195.837911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837911 (E_RNA)
where:
Base-Base interactions energy: -120.721
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.832
local terms energy: -74.285195
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -15.962
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: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -171.728941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.728941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.728941 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -50.822
Base-Backbone interact. energy: -0.009
local terms energy: -68.896524
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -166.718009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.718009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.718009 (E_RNA)
where:
Base-Base interactions energy: -100.312
where: short stacking energy: -48.169
Base-Backbone interact. energy: -0.127
local terms energy: -66.279138
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -95.695723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695723 (E_RNA)
where:
Base-Base interactions energy: -42.297
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.092
local terms energy: -53.306032
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -114.607022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.607022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.607022 (E_RNA)
where:
Base-Base interactions energy: -59.760
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.589
local terms energy: -54.257781
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -84.638828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.638828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.638828 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -38.708
Base-Backbone interact. energy: -0.246
local terms energy: -45.684855
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -77.087628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.087628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.087628 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -22.618
Base-Backbone interact. energy: -0.300
local terms energy: -51.427379
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -81.780295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780295 (E_RNA)
where:
Base-Base interactions energy: -26.449
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.427
local terms energy: -54.904375
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -6.206
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: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -79.528561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.528561 (E_RNA)
where:
Base-Base interactions energy: -30.530
where: short stacking energy: -24.040
Base-Backbone interact. energy: -0.083
local terms energy: -48.915223
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -2.937
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: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -220.477497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477497 (E_RNA)
where:
Base-Base interactions energy: -139.244
where: short stacking energy: -65.995
Base-Backbone interact. energy: -0.425
local terms energy: -80.808873
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -212.780196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.780196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.780196 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.519
local terms energy: -72.516220
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -183.068352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.068352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.068352 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.299
local terms energy: -65.529643
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -169.536876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536876 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -48.971
Base-Backbone interact. energy: -1.025
local terms energy: -64.418553
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.053
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: 491
Temperature: 1.100000
Total energy: -102.757657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.757657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.757657 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -39.520
Base-Backbone interact. energy: -0.371
local terms energy: -61.176118
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -8.502
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: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -100.120377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.120377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.120377 (E_RNA)
where:
Base-Base interactions energy: -47.587
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.123
local terms energy: -52.410227
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -83.492418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492418 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -15.361
Base-Backbone interact. energy: -0.232
local terms energy: -54.383986
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -84.687911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687911 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.108
local terms energy: -51.834373
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -85.031969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031969 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.299
local terms energy: -47.776299
where:
bonds (distance) C4'-P energy: -6.003
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -77.908451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908451 (E_RNA)
where:
Base-Base interactions energy: -24.462
where: short stacking energy: -18.026
Base-Backbone interact. energy: 0.884
local terms energy: -54.330635
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -219.978593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.978593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.978593 (E_RNA)
where:
Base-Base interactions energy: -139.181
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.239
local terms energy: -80.558673
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -21.769
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: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -214.515372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.515372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.515372 (E_RNA)
where:
Base-Base interactions energy: -136.466
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.014
local terms energy: -78.036005
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -165.623488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.623488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.623488 (E_RNA)
where:
Base-Base interactions energy: -103.511
where: short stacking energy: -46.790
Base-Backbone interact. energy: -0.204
local terms energy: -61.908393
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -174.945743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.945743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.945743 (E_RNA)
where:
Base-Base interactions energy: -106.368
where: short stacking energy: -52.940
Base-Backbone interact. energy: -0.020
local terms energy: -68.558479
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.473
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: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -111.916290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.916290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.916290 (E_RNA)
where:
Base-Base interactions energy: -51.905
where: short stacking energy: -40.034
Base-Backbone interact. energy: -0.511
local terms energy: -59.500500
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -89.809378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809378 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.130
local terms energy: -58.716393
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -83.457538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457538 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.046
local terms energy: -49.429202
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -6.133
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: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -91.017391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.017391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.017391 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.133
local terms energy: -57.106647
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -80.048591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.048591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.048591 (E_RNA)
where:
Base-Base interactions energy: -27.012
where: short stacking energy: -27.012
Base-Backbone interact. energy: -0.220
local terms energy: -52.816992
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -6.758
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: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -71.854527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.854527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.854527 (E_RNA)
where:
Base-Base interactions energy: -25.045
where: short stacking energy: -13.655
Base-Backbone interact. energy: -0.158
local terms energy: -46.650962
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -214.621887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.621887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.621887 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -71.301
Base-Backbone interact. energy: -0.000
local terms energy: -81.123536
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -221.903771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.903771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.903771 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -71.704
Base-Backbone interact. energy: -0.390
local terms energy: -78.597773
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -171.263549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.263549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.263549 (E_RNA)
where:
Base-Base interactions energy: -107.617
where: short stacking energy: -43.815
Base-Backbone interact. energy: -1.102
local terms energy: -62.544043
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -123.750756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.750756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.750756 (E_RNA)
where:
Base-Base interactions energy: -59.214
where: short stacking energy: -41.935
Base-Backbone interact. energy: -0.104
local terms energy: -64.432441
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -8.765
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: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -122.394010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.394010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.394010 (E_RNA)
where:
Base-Base interactions energy: -69.342
where: short stacking energy: -40.097
Base-Backbone interact. energy: -0.113
local terms energy: -52.938236
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -6.964
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: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -85.136212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136212 (E_RNA)
where:
Base-Base interactions energy: -32.026
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.150
local terms energy: -52.960579
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -2.564
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: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -92.197199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.197199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.197199 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.107
local terms energy: -56.224489
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -78.195960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.195960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.195960 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.065
local terms energy: -45.917503
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -6.217
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: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -72.984144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.984144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.984144 (E_RNA)
where:
Base-Base interactions energy: -23.558
where: short stacking energy: -20.444
Base-Backbone interact. energy: -1.281
local terms energy: -48.145141
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -72.640968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.640968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.640968 (E_RNA)
where:
Base-Base interactions energy: -21.196
where: short stacking energy: -12.485
Base-Backbone interact. energy: -0.535
local terms energy: -50.909980
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -219.211730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.211730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211730 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.037
local terms energy: -78.311171
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.647
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: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -217.034081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.034081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.034081 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.505
local terms energy: -78.890253
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -22.299
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: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -180.065796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.065796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.065796 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -55.129
Base-Backbone interact. energy: -0.001
local terms energy: -72.736279
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -7.053
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: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -124.610692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.610692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.610692 (E_RNA)
where:
Base-Base interactions energy: -66.886
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.104
local terms energy: -57.620504
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -148.174645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.174645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.174645 (E_RNA)
where:
Base-Base interactions energy: -87.805
where: short stacking energy: -42.903
Base-Backbone interact. energy: -0.127
local terms energy: -60.242197
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -91.101783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.101783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.101783 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -30.314
Base-Backbone interact. energy: -0.029
local terms energy: -60.758794
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -7.038
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: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -83.630943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.630943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.630943 (E_RNA)
where:
Base-Base interactions energy: -34.673
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.024
local terms energy: -48.933845
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -5.191
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: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -85.466502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466502 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -35.669
Base-Backbone interact. energy: -0.301
local terms energy: -49.471267
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -76.518322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.518322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.518322 (E_RNA)
where:
Base-Base interactions energy: -30.513
where: short stacking energy: -28.852
Base-Backbone interact. energy: -0.172
local terms energy: -45.833250
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -70.750939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.750939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.750939 (E_RNA)
where:
Base-Base interactions energy: -23.340
where: short stacking energy: -23.340
Base-Backbone interact. energy: -0.310
local terms energy: -47.100842
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -221.143419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.143419 (E_RNA)
where:
Base-Base interactions energy: -139.031
where: short stacking energy: -67.822
Base-Backbone interact. energy: 0.288
local terms energy: -82.400487
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.899
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: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -180.355926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.355926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.355926 (E_RNA)
where:
Base-Base interactions energy: -111.205
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.002
local terms energy: -69.149534
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -219.919043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919043 (E_RNA)
where:
Base-Base interactions energy: -142.674
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.102
local terms energy: -77.143177
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -166.912941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.912941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.912941 (E_RNA)
where:
Base-Base interactions energy: -101.986
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.368
local terms energy: -64.559094
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -138.219097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.219097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.219097 (E_RNA)
where:
Base-Base interactions energy: -77.056
where: short stacking energy: -38.329
Base-Backbone interact. energy: -0.153
local terms energy: -61.010354
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -98.280637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280637 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -36.714
Base-Backbone interact. energy: -0.274
local terms energy: -61.292765
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -88.979768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.979768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.979768 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.005
local terms energy: -56.033537
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.462
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: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -78.192861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.192861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.192861 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -24.645
Base-Backbone interact. energy: -0.261
local terms energy: -39.524555
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: 2.414
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: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -80.111906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111906 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.123
local terms energy: -48.298884
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -5.722
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: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -71.932043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.932043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.932043 (E_RNA)
where:
Base-Base interactions energy: -28.517
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.110
local terms energy: -43.305074
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -215.045281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.045281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.045281 (E_RNA)
where:
Base-Base interactions energy: -142.698
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.751
local terms energy: -71.596447
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -18.639
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: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -176.765831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.765831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.765831 (E_RNA)
where:
Base-Base interactions energy: -105.720
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.010
local terms energy: -71.035954
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -11.937
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: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -215.527223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.527223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.527223 (E_RNA)
where:
Base-Base interactions energy: -140.298
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.274
local terms energy: -74.955345
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -205.612658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.612658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.612658 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.027
local terms energy: -75.882506
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -155.486599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.486599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.486599 (E_RNA)
where:
Base-Base interactions energy: -88.340
where: short stacking energy: -41.386
Base-Backbone interact. energy: 0.432
local terms energy: -67.578002
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -13.071
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: 496
Temperature: 1.150000
Total energy: -88.920360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.920360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.920360 (E_RNA)
where:
Base-Base interactions energy: -30.792
where: short stacking energy: -25.910
Base-Backbone interact. energy: -0.216
local terms energy: -57.912354
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.223
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: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -91.887488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.887488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.887488 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -29.513
Base-Backbone interact. energy: -0.111
local terms energy: -54.248173
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -7.795
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: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -86.022199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022199 (E_RNA)
where:
Base-Base interactions energy: -31.280
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.061
local terms energy: -54.681072
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -87.981909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.981909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.981909 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.004
local terms energy: -47.476314
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -7.129
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -7.258
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: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -74.539391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.539391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.539391 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -15.185
Base-Backbone interact. energy: 1.751
local terms energy: -53.332425
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -219.289792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.289792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.289792 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.046
local terms energy: -84.090997
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.061
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: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -208.364296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.364296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.364296 (E_RNA)
where:
Base-Base interactions energy: -135.853
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.046
local terms energy: -72.465451
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -211.468240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468240 (E_RNA)
where:
Base-Base interactions energy: -138.006
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.088
local terms energy: -73.374607
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.690
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: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -210.228896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.228896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.228896 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.121
local terms energy: -74.292784
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -7.973
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: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -158.687465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.687465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.687465 (E_RNA)
where:
Base-Base interactions energy: -94.490
where: short stacking energy: -43.963
Base-Backbone interact. energy: -0.019
local terms energy: -64.178321
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -133.736370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.736370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.736370 (E_RNA)
where:
Base-Base interactions energy: -74.736
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.045
local terms energy: -58.955653
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.338
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: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -80.145976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145976 (E_RNA)
where:
Base-Base interactions energy: -40.967
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.164
local terms energy: -39.015203
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: 1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -80.980093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980093 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -27.081
Base-Backbone interact. energy: 1.791
local terms energy: -50.214039
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -5.425
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: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -76.776612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776612 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.165
local terms energy: -48.721599
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -80.949891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.949891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.949891 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -19.641
Base-Backbone interact. energy: 0.489
local terms energy: -55.882092
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/43-VP1-O-b0dcf761_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -214.422550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.422550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.422550 (E_RNA)
where:
Base-Base interactions energy: -138.218
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.040
local terms energy: -76.163658
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -10.410
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: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -193.306947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.306947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.306947 (E_RNA)
where:
Base-Base interactions energy: -122.251
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.004
local terms energy: -71.052609
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -206.321587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321587 (E_RNA)
where:
Base-Base interactions energy: -130.479
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.003
local terms energy: -75.839505
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -13.394
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: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -198.398907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398907 (E_RNA)
where:
Base-Base interactions energy: -121.321
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.096
local terms energy: -76.982399
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -20.172
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: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -171.568755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.568755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.568755 (E_RNA)
where:
Base-Base interactions energy: -111.994
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.020
local terms energy: -59.555168
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -114.828586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.828586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.828586 (E_RNA)
where:
Base-Base interactions energy: -56.113
where: short stacking energy: -38.031
Base-Backbone interact. energy: 0.190
local terms energy: -58.905931
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -85.252673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.252673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.252673 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.097
local terms energy: -53.268872
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -8.075
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: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -84.597288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597288 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -30.030
Base-Backbone interact. energy: -0.051
local terms energy: -54.516032
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -77.312704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.312704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.312704 (E_RNA)
where:
Base-Base interactions energy: -26.551
where: short stacking energy: -20.438
Base-Backbone interact. energy: -0.045
local terms energy: -50.716417
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -78.814909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.814909 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -30.152
Base-Backbone interact. energy: -0.027
local terms energy: -48.636074
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -5.461
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -214.590767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.590767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.590767 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.002
local terms energy: -74.473763
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.008
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: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -217.119996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.119996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.119996 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -71.280
Base-Backbone interact. energy: -0.184
local terms energy: -78.254311
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -185.861384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.861384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.861384 (E_RNA)
where:
Base-Base interactions energy: -110.178
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.010
local terms energy: -75.673357
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -12.273
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: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -207.166554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166554 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.095
local terms energy: -77.490019
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -146.322269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.322269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.322269 (E_RNA)
where:
Base-Base interactions energy: -88.933
where: short stacking energy: -41.224
Base-Backbone interact. energy: -0.119
local terms energy: -57.270532
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -86.710244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.710244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.710244 (E_RNA)
where:
Base-Base interactions energy: -31.209
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.187
local terms energy: -55.315045
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -83.415088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.415088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.415088 (E_RNA)
where:
Base-Base interactions energy: -43.156
where: short stacking energy: -33.055
Base-Backbone interact. energy: -0.081
local terms energy: -40.178315
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -93.044762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.044762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.044762 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.867
local terms energy: -47.958486
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -87.851693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851693 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -29.271
Base-Backbone interact. energy: -0.099
local terms energy: -58.308780
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -6.221
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: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -67.470244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.470244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.470244 (E_RNA)
where:
Base-Base interactions energy: -27.644
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.207
local terms energy: -39.619182
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -1.956
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE