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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/hi-5e752c3b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1
curr_seq: _AAAAGUUUCUCAGAUAGGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 19 nucleotides
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: 100
n_atoms_counter: 100
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 1
Temperature: 1.200000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297726 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -70.797692
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -130.034312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.034312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.034312 (E_RNA)
where:
Base-Base interactions energy: -76.040
where: short stacking energy: -45.541
Base-Backbone interact. energy: 1.243
local terms energy: -55.237919
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -6.739
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -108.686271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.686271 (E_RNA)
where:
Base-Base interactions energy: -53.854
where: short stacking energy: -38.856
Base-Backbone interact. energy: -0.135
local terms energy: -54.697271
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -6.727
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -124.012002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.012002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.012002 (E_RNA)
where:
Base-Base interactions energy: -76.411
where: short stacking energy: -31.950
Base-Backbone interact. energy: 0.886
local terms energy: -48.486366
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -5.431
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -102.942047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.942047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.942047 (E_RNA)
where:
Base-Base interactions energy: -44.196
where: short stacking energy: -44.196
Base-Backbone interact. energy: 0.460
local terms energy: -59.206165
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -8.360
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -86.026516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026516 (E_RNA)
where:
Base-Base interactions energy: -29.405
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.073
local terms energy: -56.548578
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -11.589
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -110.206585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.206585 (E_RNA)
where:
Base-Base interactions energy: -61.665
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.029
local terms energy: -48.512070
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -85.690201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690201 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.200
local terms energy: -52.645359
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -80.834286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.834286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.834286 (E_RNA)
where:
Base-Base interactions energy: -28.365
where: short stacking energy: -26.651
Base-Backbone interact. energy: 3.283
local terms energy: -55.752579
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -72.571716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.571716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.571716 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.225
local terms energy: -30.209106
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: 2.122
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -69.182442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.182442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.182442 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.000
local terms energy: -69.682405
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -135.465788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.465788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.465788 (E_RNA)
where:
Base-Base interactions energy: -71.959
where: short stacking energy: -46.050
Base-Backbone interact. energy: -0.041
local terms energy: -63.465440
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -140.621461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.621461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.621461 (E_RNA)
where:
Base-Base interactions energy: -84.664
where: short stacking energy: -38.795
Base-Backbone interact. energy: 0.028
local terms energy: -55.985265
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -100.894555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.894555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.894555 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -39.813
Base-Backbone interact. energy: -0.171
local terms energy: -55.624697
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -8.308
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -112.740294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.740294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.740294 (E_RNA)
where:
Base-Base interactions energy: -65.164
where: short stacking energy: -36.910
Base-Backbone interact. energy: -0.495
local terms energy: -47.081916
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -1.070
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -97.265212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265212 (E_RNA)
where:
Base-Base interactions energy: -48.524
where: short stacking energy: -21.731
Base-Backbone interact. energy: -1.047
local terms energy: -47.694363
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -89.441064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.441064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.441064 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -35.255
Base-Backbone interact. energy: -0.006
local terms energy: -53.244696
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -87.974747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974747 (E_RNA)
where:
Base-Base interactions energy: -55.322
where: short stacking energy: -28.668
Base-Backbone interact. energy: -0.048
local terms energy: -32.603905
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -2.713
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -2.462
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -76.390485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390485 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -27.070
Base-Backbone interact. energy: 0.999
local terms energy: -45.945952
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -4.677
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -75.931821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.931821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.931821 (E_RNA)
where:
Base-Base interactions energy: -26.694
where: short stacking energy: -21.266
Base-Backbone interact. energy: -1.050
local terms energy: -48.187811
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -67.572876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.572876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.572876 (E_RNA)
where:
Base-Base interactions energy: -22.202
where: short stacking energy: -22.202
Base-Backbone interact. energy: 1.856
local terms energy: -47.226905
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -154.286827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.286827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.286827 (E_RNA)
where:
Base-Base interactions energy: -85.042
where: short stacking energy: -49.346
Base-Backbone interact. energy: -0.094
local terms energy: -69.151049
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -146.777219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.777219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.777219 (E_RNA)
where:
Base-Base interactions energy: -89.944
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.387
local terms energy: -56.446576
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -7.445
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: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -128.585357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.585357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.585357 (E_RNA)
where:
Base-Base interactions energy: -72.523
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.027
local terms energy: -56.036133
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -97.727517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.727517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.727517 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -37.471
Base-Backbone interact. energy: -0.000
local terms energy: -58.265743
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -83.218787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218787 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -33.811
Base-Backbone interact. energy: -0.195
local terms energy: -49.212484
where:
bonds (distance) C4'-P energy: -4.935
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.472391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.472391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.472391 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.051
local terms energy: -50.693038
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -83.411853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411853 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -32.327
Base-Backbone interact. energy: -0.004
local terms energy: -51.081159
where:
bonds (distance) C4'-P energy: -3.683
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -8.270
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -73.531843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.531843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.531843 (E_RNA)
where:
Base-Base interactions energy: -38.816
where: short stacking energy: -10.659
Base-Backbone interact. energy: 1.343
local terms energy: -36.059278
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -71.409615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.409615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.409615 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.254
local terms energy: -38.133683
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -3.325
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -1.135
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -81.345177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345177 (E_RNA)
where:
Base-Base interactions energy: -34.743
where: short stacking energy: -32.450
Base-Backbone interact. energy: -0.021
local terms energy: -46.580933
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -176.327165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.327165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.327165 (E_RNA)
where:
Base-Base interactions energy: -109.759
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.307
local terms energy: -66.261520
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.403
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: 5
Temperature: 0.950000
Total energy: -152.452629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.452629 (E_RNA)
where:
Base-Base interactions energy: -91.712
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.059
local terms energy: -60.680908
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -12.899
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: 5
Temperature: 1.000000
Total energy: -123.957919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.957919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.957919 (E_RNA)
where:
Base-Base interactions energy: -69.040
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.299
local terms energy: -54.618935
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -110.033630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.033630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.033630 (E_RNA)
where:
Base-Base interactions energy: -60.766
where: short stacking energy: -30.144
Base-Backbone interact. energy: 1.339
local terms energy: -50.606392
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -107.142081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.142081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.142081 (E_RNA)
where:
Base-Base interactions energy: -49.247
where: short stacking energy: -40.034
Base-Backbone interact. energy: -0.117
local terms energy: -57.778706
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -80.847115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.847115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.847115 (E_RNA)
where:
Base-Base interactions energy: -30.364
where: short stacking energy: -30.364
Base-Backbone interact. energy: -0.113
local terms energy: -50.369868
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -98.968994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968994 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.521
local terms energy: -55.953609
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -5.569
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -76.421671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.421671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.421671 (E_RNA)
where:
Base-Base interactions energy: -25.326
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.061
local terms energy: -51.034160
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -81.924540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.924540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.924540 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.502
Base-Backbone interact. energy: 0.344
local terms energy: -54.418728
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -10.859
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -86.477348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.477348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.477348 (E_RNA)
where:
Base-Base interactions energy: -40.910
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.104
local terms energy: -45.463345
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -172.871242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.871242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871242 (E_RNA)
where:
Base-Base interactions energy: -105.780
where: short stacking energy: -54.883
Base-Backbone interact. energy: -0.538
local terms energy: -66.552621
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -155.591811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.591811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.591811 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.935
local terms energy: -62.421098
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -115.050895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.050895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.050895 (E_RNA)
where:
Base-Base interactions energy: -56.487
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.012
local terms energy: -58.551839
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.368
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: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -117.241300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.241300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.241300 (E_RNA)
where:
Base-Base interactions energy: -63.808
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.051
local terms energy: -53.382948
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -88.386646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386646 (E_RNA)
where:
Base-Base interactions energy: -42.576
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.194
local terms energy: -45.617244
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -89.550819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.550819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.550819 (E_RNA)
where:
Base-Base interactions energy: -37.461
where: short stacking energy: -19.929
Base-Backbone interact. energy: -0.946
local terms energy: -51.143805
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -7.714
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.185
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: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -89.721043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721043 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -24.132
Base-Backbone interact. energy: -0.313
local terms energy: -54.447713
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -77.601481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.601481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.601481 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -20.810
Base-Backbone interact. energy: -0.207
local terms energy: -43.356856
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -0.669
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -81.573174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.573174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.573174 (E_RNA)
where:
Base-Base interactions energy: -33.711
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.007
local terms energy: -47.854898
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -66.454968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.454968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.454968 (E_RNA)
where:
Base-Base interactions energy: -22.713
where: short stacking energy: -19.210
Base-Backbone interact. energy: 0.472
local terms energy: -44.214758
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -6.011
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -165.794128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.794128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.794128 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.003
local terms energy: -72.788788
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -154.065041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.065041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.065041 (E_RNA)
where:
Base-Base interactions energy: -94.151
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.001
local terms energy: -59.913776
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -98.051943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.051943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.051943 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -40.159
Base-Backbone interact. energy: 0.921
local terms energy: -58.814059
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.615
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: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -104.398586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.398586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.398586 (E_RNA)
where:
Base-Base interactions energy: -46.366
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.001
local terms energy: -58.032366
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -14.498
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: 7
Temperature: 1.100000
Total energy: -98.248406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.248406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.248406 (E_RNA)
where:
Base-Base interactions energy: -58.370
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.122
local terms energy: -39.757153
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -3.059
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -109.643696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.643696 (E_RNA)
where:
Base-Base interactions energy: -64.653
where: short stacking energy: -41.003
Base-Backbone interact. energy: 0.369
local terms energy: -45.359561
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -89.933460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.933460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.933460 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.364
local terms energy: -54.037857
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -75.216975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.216975 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.870
local terms energy: -41.015124
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: 3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -72.930347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.930347 (E_RNA)
where:
Base-Base interactions energy: -27.808
where: short stacking energy: -25.427
Base-Backbone interact. energy: -0.106
local terms energy: -45.016495
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: 0.390
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: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -72.870670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.870670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.870670 (E_RNA)
where:
Base-Base interactions energy: -24.669
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.002
local terms energy: -48.199231
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -4.738
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -170.020367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.020367 (E_RNA)
where:
Base-Base interactions energy: -99.866
where: short stacking energy: -62.120
Base-Backbone interact. energy: -0.002
local terms energy: -70.151672
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -17.547
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -147.986086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.986086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.986086 (E_RNA)
where:
Base-Base interactions energy: -80.564
where: short stacking energy: -48.953
Base-Backbone interact. energy: 0.056
local terms energy: -67.477361
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -119.410879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.410879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.410879 (E_RNA)
where:
Base-Base interactions energy: -76.031
where: short stacking energy: -37.732
Base-Backbone interact. energy: -0.124
local terms energy: -43.255848
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -2.140
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -107.211797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.211797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.211797 (E_RNA)
where:
Base-Base interactions energy: -45.892
where: short stacking energy: -45.892
Base-Backbone interact. energy: -0.004
local terms energy: -61.316495
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -104.814956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.814956 (E_RNA)
where:
Base-Base interactions energy: -55.966
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.109
local terms energy: -48.740402
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -103.797839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797839 (E_RNA)
where:
Base-Base interactions energy: -49.223
where: short stacking energy: -23.993
Base-Backbone interact. energy: 0.078
local terms energy: -54.653395
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -12.735
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -84.445899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445899 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -27.308
Base-Backbone interact. energy: -0.647
local terms energy: -42.105870
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -82.808059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.808059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.808059 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.220
local terms energy: -45.361345
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -68.034030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.034030 (E_RNA)
where:
Base-Base interactions energy: -21.007
where: short stacking energy: -21.007
Base-Backbone interact. energy: -0.140
local terms energy: -46.887127
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -65.821471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.821471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.821471 (E_RNA)
where:
Base-Base interactions energy: -27.893
where: short stacking energy: -9.953
Base-Backbone interact. energy: -0.354
local terms energy: -37.574487
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -162.894447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.894447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.894447 (E_RNA)
where:
Base-Base interactions energy: -100.244
where: short stacking energy: -58.632
Base-Backbone interact. energy: 0.096
local terms energy: -62.746776
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.796
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -158.872797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.872797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.872797 (E_RNA)
where:
Base-Base interactions energy: -99.650
where: short stacking energy: -42.033
Base-Backbone interact. energy: -0.428
local terms energy: -58.794127
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -146.508881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.508881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.508881 (E_RNA)
where:
Base-Base interactions energy: -79.569
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.277
local terms energy: -66.662513
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -96.927794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.927794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.927794 (E_RNA)
where:
Base-Base interactions energy: -50.865
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.053
local terms energy: -46.009526
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -127.632869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632869 (E_RNA)
where:
Base-Base interactions energy: -76.434
where: short stacking energy: -36.947
Base-Backbone interact. energy: 0.559
local terms energy: -51.757114
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -4.447
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: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -102.207962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.207962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.207962 (E_RNA)
where:
Base-Base interactions energy: -51.098
where: short stacking energy: -35.422
Base-Backbone interact. energy: -0.199
local terms energy: -50.911244
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -8.725
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -81.683015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683015 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -26.545
Base-Backbone interact. energy: -0.125
local terms energy: -55.012595
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -5.710
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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -87.149526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.149526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.149526 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -18.425
Base-Backbone interact. energy: 0.008
local terms energy: -43.226342
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -75.042231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.042231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.042231 (E_RNA)
where:
Base-Base interactions energy: -28.425
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.022
local terms energy: -46.594931
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -74.145538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.145538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.145538 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.077
local terms energy: -40.869615
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -173.494881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.494881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.494881 (E_RNA)
where:
Base-Base interactions energy: -102.407
where: short stacking energy: -54.042
Base-Backbone interact. energy: 0.113
local terms energy: -71.200551
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -19.175
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -167.524867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.524867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.524867 (E_RNA)
where:
Base-Base interactions energy: -97.176
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.144
local terms energy: -70.204981
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -144.880073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.880073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.880073 (E_RNA)
where:
Base-Base interactions energy: -89.981
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.013
local terms energy: -54.885393
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -11.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -116.864632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.864632 (E_RNA)
where:
Base-Base interactions energy: -60.906
where: short stacking energy: -39.349
Base-Backbone interact. energy: -0.076
local terms energy: -55.882486
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -93.096545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.096545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.096545 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -34.154
Base-Backbone interact. energy: 0.719
local terms energy: -59.085936
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -7.367
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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -85.845027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.845027 (E_RNA)
where:
Base-Base interactions energy: -37.377
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.076
local terms energy: -48.392395
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -109.189456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.189456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.189456 (E_RNA)
where:
Base-Base interactions energy: -62.893
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.428
local terms energy: -45.867683
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -0.846
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -81.984869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984869 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.542
local terms energy: -51.693119
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -68.596760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.596760 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -23.585
Base-Backbone interact. energy: -0.275
local terms energy: -44.610048
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -68.713954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.713954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.713954 (E_RNA)
where:
Base-Base interactions energy: -25.450
where: short stacking energy: -20.576
Base-Backbone interact. energy: 0.336
local terms energy: -43.599105
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -172.869418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.869418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.869418 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.014
local terms energy: -68.515897
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -168.457922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.457922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.457922 (E_RNA)
where:
Base-Base interactions energy: -108.690
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.062
local terms energy: -59.705717
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -14.416
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: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -148.530392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.530392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.530392 (E_RNA)
where:
Base-Base interactions energy: -95.114
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.118
local terms energy: -53.298388
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -112.231496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.231496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.231496 (E_RNA)
where:
Base-Base interactions energy: -58.620
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.233
local terms energy: -53.378355
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -131.877488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.877488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.877488 (E_RNA)
where:
Base-Base interactions energy: -71.791
where: short stacking energy: -37.111
Base-Backbone interact. energy: -0.059
local terms energy: -60.027535
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.428
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: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -104.416582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.416582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.416582 (E_RNA)
where:
Base-Base interactions energy: -56.827
where: short stacking energy: -42.071
Base-Backbone interact. energy: -0.064
local terms energy: -47.524977
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -8.037
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -84.805288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805288 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -28.969
Base-Backbone interact. energy: 1.039
local terms energy: -52.674945
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -72.840772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.840772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.840772 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -22.646
Base-Backbone interact. energy: 1.956
local terms energy: -47.081109
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -76.853031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.853031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.853031 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.410
local terms energy: -46.908375
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -67.326790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.326790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.326790 (E_RNA)
where:
Base-Base interactions energy: -43.498
where: short stacking energy: -16.585
Base-Backbone interact. energy: 2.109
local terms energy: -25.938736
where:
bonds (distance) C4'-P energy: -6.186
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -0.703
flat angles P-C4'-P energy: -7.075
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: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -169.654692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.654692 (E_RNA)
where:
Base-Base interactions energy: -102.464
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.003
local terms energy: -67.188075
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.384
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -166.486553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.486553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.486553 (E_RNA)
where:
Base-Base interactions energy: -103.022
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.224
local terms energy: -63.239748
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -158.619925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.619925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.619925 (E_RNA)
where:
Base-Base interactions energy: -99.716
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.232
local terms energy: -58.671459
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -126.639765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.639765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.639765 (E_RNA)
where:
Base-Base interactions energy: -78.660
where: short stacking energy: -41.474
Base-Backbone interact. energy: 1.528
local terms energy: -49.507990
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -125.221399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.221399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.221399 (E_RNA)
where:
Base-Base interactions energy: -75.800
where: short stacking energy: -36.668
Base-Backbone interact. energy: 2.713
local terms energy: -52.133836
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -9.858
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: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -87.484317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484317 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.013
local terms energy: -57.639942
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -100.626001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.626001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.626001 (E_RNA)
where:
Base-Base interactions energy: -52.927
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.928
local terms energy: -46.770125
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -78.778905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.778905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.778905 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -27.178
Base-Backbone interact. energy: 0.086
local terms energy: -49.776626
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -5.919
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: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -71.969595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.969595 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -25.949
Base-Backbone interact. energy: -0.042
local terms energy: -42.764915
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -64.253522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.253522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.253522 (E_RNA)
where:
Base-Base interactions energy: -18.763
where: short stacking energy: -18.397
Base-Backbone interact. energy: -0.019
local terms energy: -45.471602
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: 1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -162.314518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.314518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.314518 (E_RNA)
where:
Base-Base interactions energy: -94.592
where: short stacking energy: -62.799
Base-Backbone interact. energy: -0.035
local terms energy: -67.687394
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -167.089204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.089204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.089204 (E_RNA)
where:
Base-Base interactions energy: -99.450
where: short stacking energy: -51.398
Base-Backbone interact. energy: -0.694
local terms energy: -66.945189
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -166.382571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.382571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.382571 (E_RNA)
where:
Base-Base interactions energy: -103.472
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.770
local terms energy: -62.141173
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -13.661
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: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -123.375802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.375802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.375802 (E_RNA)
where:
Base-Base interactions energy: -72.885
where: short stacking energy: -37.447
Base-Backbone interact. energy: -0.013
local terms energy: -50.478032
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -92.623143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.623143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.623143 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -33.548
Base-Backbone interact. energy: 0.216
local terms energy: -55.319718
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -95.143053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.143053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.143053 (E_RNA)
where:
Base-Base interactions energy: -45.570
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.270
local terms energy: -49.303388
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -3.626
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: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -76.072138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.072138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.072138 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -23.617
Base-Backbone interact. energy: -0.057
local terms energy: -48.604422
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -81.456461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456461 (E_RNA)
where:
Base-Base interactions energy: -34.129
where: short stacking energy: -19.811
Base-Backbone interact. energy: -0.130
local terms energy: -47.196751
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -2.063
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -79.468259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.468259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.468259 (E_RNA)
where:
Base-Base interactions energy: -25.139
where: short stacking energy: -25.139
Base-Backbone interact. energy: -0.002
local terms energy: -54.327278
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -73.317113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.317113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.317113 (E_RNA)
where:
Base-Base interactions energy: -25.181
where: short stacking energy: -22.022
Base-Backbone interact. energy: -0.246
local terms energy: -47.890730
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -162.720287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.720287 (E_RNA)
where:
Base-Base interactions energy: -102.099
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.162
local terms energy: -60.459655
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -163.004467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.004467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.004467 (E_RNA)
where:
Base-Base interactions energy: -94.110
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.188
local terms energy: -68.706128
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -167.556214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.556214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.556214 (E_RNA)
where:
Base-Base interactions energy: -103.559
where: short stacking energy: -45.676
Base-Backbone interact. energy: -1.452
local terms energy: -62.544710
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -103.241669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.241669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.241669 (E_RNA)
where:
Base-Base interactions energy: -50.789
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.492
local terms energy: -51.960274
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -124.863869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.863869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.863869 (E_RNA)
where:
Base-Base interactions energy: -68.435
where: short stacking energy: -42.592
Base-Backbone interact. energy: -0.274
local terms energy: -56.154999
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -10.650
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: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -85.764223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764223 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -32.597
Base-Backbone interact. energy: -0.023
local terms energy: -52.152490
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -6.523
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -94.145596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145596 (E_RNA)
where:
Base-Base interactions energy: -46.987
where: short stacking energy: -46.987
Base-Backbone interact. energy: -0.183
local terms energy: -46.975004
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -80.280385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.280385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.280385 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.060
local terms energy: -42.484876
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -1.480
tors. eta vs tors. theta energy: -2.264
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: 14
Temperature: 1.300000
Total energy: -69.922111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.922111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.922111 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.090
local terms energy: -39.703304
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -2.819
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: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -70.882865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.882865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.882865 (E_RNA)
where:
Base-Base interactions energy: -27.911
where: short stacking energy: -26.468
Base-Backbone interact. energy: 0.425
local terms energy: -43.396768
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -168.769893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.769893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.769893 (E_RNA)
where:
Base-Base interactions energy: -107.621
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.047
local terms energy: -61.101402
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -163.857960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.857960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.857960 (E_RNA)
where:
Base-Base interactions energy: -111.502
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.553
local terms energy: -51.803389
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -154.713295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.713295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.713295 (E_RNA)
where:
Base-Base interactions energy: -97.095
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.082
local terms energy: -57.536826
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -130.843567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.843567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.843567 (E_RNA)
where:
Base-Base interactions energy: -72.207
where: short stacking energy: -47.160
Base-Backbone interact. energy: 2.322
local terms energy: -60.959033
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -98.575530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.575530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.575530 (E_RNA)
where:
Base-Base interactions energy: -46.988
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.071
local terms energy: -51.516738
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -7.391
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -9.858
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: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -90.573444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.573444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.573444 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.046
local terms energy: -50.387352
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -91.234006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.234006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.234006 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.391
local terms energy: -46.466849
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -2.829
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -80.579933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.579933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.579933 (E_RNA)
where:
Base-Base interactions energy: -29.824
where: short stacking energy: -25.034
Base-Backbone interact. energy: -0.410
local terms energy: -50.345978
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -84.104798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.104798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.104798 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -21.967
Base-Backbone interact. energy: 0.449
local terms energy: -45.522153
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -66.591014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.591014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.591014 (E_RNA)
where:
Base-Base interactions energy: -16.345
where: short stacking energy: -15.851
Base-Backbone interact. energy: -0.125
local terms energy: -50.121681
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -179.654501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.654501 (E_RNA)
where:
Base-Base interactions energy: -115.639
where: short stacking energy: -58.306
Base-Backbone interact. energy: 0.561
local terms energy: -64.577355
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -163.780940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.780940 (E_RNA)
where:
Base-Base interactions energy: -89.864
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.003
local terms energy: -73.914331
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -154.216599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.216599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.216599 (E_RNA)
where:
Base-Base interactions energy: -96.506
where: short stacking energy: -43.339
Base-Backbone interact. energy: -0.021
local terms energy: -57.688969
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -9.343
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: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -157.068273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.068273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.068273 (E_RNA)
where:
Base-Base interactions energy: -91.637
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.018
local terms energy: -65.412929
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.523
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: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -118.106341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.106341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.106341 (E_RNA)
where:
Base-Base interactions energy: -59.967
where: short stacking energy: -34.064
Base-Backbone interact. energy: 1.417
local terms energy: -59.555400
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -91.797585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.797585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.797585 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.102
local terms energy: -54.426843
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -79.455688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455688 (E_RNA)
where:
Base-Base interactions energy: -35.407
where: short stacking energy: -25.623
Base-Backbone interact. energy: -1.371
local terms energy: -42.677635
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -73.090961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.090961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.090961 (E_RNA)
where:
Base-Base interactions energy: -24.885
where: short stacking energy: -24.068
Base-Backbone interact. energy: 0.125
local terms energy: -48.330837
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -84.168405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168405 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.016
local terms energy: -47.498545
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -68.023780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.023780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.023780 (E_RNA)
where:
Base-Base interactions energy: -22.929
where: short stacking energy: -22.929
Base-Backbone interact. energy: -0.136
local terms energy: -44.959039
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -180.790002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.790002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.790002 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.417
local terms energy: -68.622252
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -163.200383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.200383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.200383 (E_RNA)
where:
Base-Base interactions energy: -107.757
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.102
local terms energy: -55.342186
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -150.534615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.534615 (E_RNA)
where:
Base-Base interactions energy: -91.670
where: short stacking energy: -39.665
Base-Backbone interact. energy: -0.663
local terms energy: -58.201454
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -9.732
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: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -165.395023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.395023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.395023 (E_RNA)
where:
Base-Base interactions energy: -109.965
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.487
local terms energy: -54.943529
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -142.811863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.811863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.811863 (E_RNA)
where:
Base-Base interactions energy: -80.287
where: short stacking energy: -40.488
Base-Backbone interact. energy: -0.321
local terms energy: -62.203443
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -109.937967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.937967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.937967 (E_RNA)
where:
Base-Base interactions energy: -59.155
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.170
local terms energy: -50.612472
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -84.987311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987311 (E_RNA)
where:
Base-Base interactions energy: -34.638
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.159
local terms energy: -50.189914
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -100.129977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.129977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.129977 (E_RNA)
where:
Base-Base interactions energy: -60.433
where: short stacking energy: -23.537
Base-Backbone interact. energy: -0.218
local terms energy: -39.479197
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: -2.649
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: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.199453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.199453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.199453 (E_RNA)
where:
Base-Base interactions energy: -28.032
where: short stacking energy: -28.032
Base-Backbone interact. energy: -0.132
local terms energy: -50.035568
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -6.230
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: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -82.350552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.350552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.350552 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.113
local terms energy: -51.734470
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -187.384660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.384660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.384660 (E_RNA)
where:
Base-Base interactions energy: -111.944
where: short stacking energy: -60.893
Base-Backbone interact. energy: -0.659
local terms energy: -74.781738
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -162.409643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.409643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.409643 (E_RNA)
where:
Base-Base interactions energy: -106.280
where: short stacking energy: -44.105
Base-Backbone interact. energy: -0.169
local terms energy: -55.960598
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -11.553
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: 18
Temperature: 1.000000
Total energy: -162.089139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.089139 (E_RNA)
where:
Base-Base interactions energy: -99.297
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.009
local terms energy: -62.782966
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -142.557216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.557216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.557216 (E_RNA)
where:
Base-Base interactions energy: -85.071
where: short stacking energy: -43.111
Base-Backbone interact. energy: 0.828
local terms energy: -58.314902
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -97.262972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.262972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.262972 (E_RNA)
where:
Base-Base interactions energy: -46.253
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.180
local terms energy: -50.829463
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -8.695
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -146.281442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.281442 (E_RNA)
where:
Base-Base interactions energy: -86.285
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.101
local terms energy: -59.895184
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -11.792
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: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -107.252790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.252790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.252790 (E_RNA)
where:
Base-Base interactions energy: -58.416
where: short stacking energy: -32.638
Base-Backbone interact. energy: -0.473
local terms energy: -48.363750
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -70.468262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.468262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.468262 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.013
local terms energy: -36.042464
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.790295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790295 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.040
local terms energy: -43.812266
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -79.391216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.391216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.391216 (E_RNA)
where:
Base-Base interactions energy: -22.576
where: short stacking energy: -22.576
Base-Backbone interact. energy: 0.415
local terms energy: -57.229989
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -184.052403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.052403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.052403 (E_RNA)
where:
Base-Base interactions energy: -108.464
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.193
local terms energy: -75.395574
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -156.409350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.409350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.409350 (E_RNA)
where:
Base-Base interactions energy: -99.743
where: short stacking energy: -40.759
Base-Backbone interact. energy: -0.558
local terms energy: -56.108318
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -10.254
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: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -169.253757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.253757 (E_RNA)
where:
Base-Base interactions energy: -108.770
where: short stacking energy: -51.250
Base-Backbone interact. energy: -0.627
local terms energy: -59.856600
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -140.011381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.011381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.011381 (E_RNA)
where:
Base-Base interactions energy: -80.208
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.294
local terms energy: -59.509609
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -95.526433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.526433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.526433 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -31.158
Base-Backbone interact. energy: -1.477
local terms energy: -53.753442
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -89.721423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721423 (E_RNA)
where:
Base-Base interactions energy: -45.901
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.027
local terms energy: -43.793700
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -4.943
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: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -129.399014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.399014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.399014 (E_RNA)
where:
Base-Base interactions energy: -74.160
where: short stacking energy: -40.772
Base-Backbone interact. energy: 0.342
local terms energy: -55.580706
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -74.475321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.475321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.475321 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -19.790
Base-Backbone interact. energy: -0.239
local terms energy: -45.050172
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -80.670682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.670682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.670682 (E_RNA)
where:
Base-Base interactions energy: -23.023
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.010
local terms energy: -57.637506
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -76.861003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.861003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.861003 (E_RNA)
where:
Base-Base interactions energy: -25.917
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.009
local terms energy: -50.935532
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -11.961
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: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -181.431590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.431590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.431590 (E_RNA)
where:
Base-Base interactions energy: -115.514
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.353
local terms energy: -65.564072
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -155.955234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.955234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.955234 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -48.501
Base-Backbone interact. energy: 0.517
local terms energy: -62.227257
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -155.658521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.658521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.658521 (E_RNA)
where:
Base-Base interactions energy: -91.640
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.954
local terms energy: -63.064904
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -123.833469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.833469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.833469 (E_RNA)
where:
Base-Base interactions energy: -64.644
where: short stacking energy: -41.735
Base-Backbone interact. energy: -0.055
local terms energy: -59.135097
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -104.465111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.465111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.465111 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.002
local terms energy: -55.950308
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -95.605799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.605799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.605799 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -33.025
Base-Backbone interact. energy: 1.350
local terms energy: -51.825049
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -127.401752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.401752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.401752 (E_RNA)
where:
Base-Base interactions energy: -88.033
where: short stacking energy: -33.007
Base-Backbone interact. energy: 0.669
local terms energy: -40.037101
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -0.847
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -72.048034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.048034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.048034 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.167
local terms energy: -43.771142
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -70.291127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.291127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.291127 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -23.343
Base-Backbone interact. energy: -0.225
local terms energy: -42.716222
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -62.357014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.357014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.357014 (E_RNA)
where:
Base-Base interactions energy: -20.448
where: short stacking energy: -19.270
Base-Backbone interact. energy: -0.033
local terms energy: -41.876106
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -184.643858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.643858 (E_RNA)
where:
Base-Base interactions energy: -119.643
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.426
local terms energy: -64.574546
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -158.324561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.324561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.324561 (E_RNA)
where:
Base-Base interactions energy: -89.940
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.228
local terms energy: -68.157368
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -173.392727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.392727 (E_RNA)
where:
Base-Base interactions energy: -108.416
where: short stacking energy: -44.705
Base-Backbone interact. energy: -1.012
local terms energy: -63.964663
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -115.217977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.217977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.217977 (E_RNA)
where:
Base-Base interactions energy: -62.258
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.755
local terms energy: -53.714726
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -94.513626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.513626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.513626 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.007
local terms energy: -58.036321
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -132.703589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.703589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.703589 (E_RNA)
where:
Base-Base interactions energy: -87.501
where: short stacking energy: -45.031
Base-Backbone interact. energy: -0.303
local terms energy: -44.898954
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -5.839
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: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -86.152885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.152885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.152885 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -15.196
Base-Backbone interact. energy: 0.489
local terms energy: -49.019843
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -1.537
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: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -73.051994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.051994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.051994 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -28.569
Base-Backbone interact. energy: 2.689
local terms energy: -47.172723
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -1.138
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -76.040011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.040011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.040011 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -18.330
Base-Backbone interact. energy: -0.071
local terms energy: -41.372942
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -5.806
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: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -81.709410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709410 (E_RNA)
where:
Base-Base interactions energy: -47.542
where: short stacking energy: -14.215
Base-Backbone interact. energy: -0.495
local terms energy: -33.672776
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -188.090355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090355 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.650
local terms energy: -59.070257
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -8.261
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -150.356388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.356388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.356388 (E_RNA)
where:
Base-Base interactions energy: -86.349
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.006
local terms energy: -64.001323
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -172.039535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.039535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.039535 (E_RNA)
where:
Base-Base interactions energy: -112.408
where: short stacking energy: -50.941
Base-Backbone interact. energy: -0.156
local terms energy: -59.476465
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -6.639
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: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -104.419284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.419284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.419284 (E_RNA)
where:
Base-Base interactions energy: -43.823
where: short stacking energy: -43.823
Base-Backbone interact. energy: -0.138
local terms energy: -60.457596
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -132.562607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.562607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.562607 (E_RNA)
where:
Base-Base interactions energy: -83.510
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.354
local terms energy: -48.699154
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -5.566
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: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -84.416430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.416430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.416430 (E_RNA)
where:
Base-Base interactions energy: -47.995
where: short stacking energy: -27.964
Base-Backbone interact. energy: 0.547
local terms energy: -36.968539
where:
bonds (distance) C4'-P energy: -4.591
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -87.093161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.093161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.093161 (E_RNA)
where:
Base-Base interactions energy: -31.202
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.007
local terms energy: -55.884989
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -78.913028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.913028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.913028 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -24.007
Base-Backbone interact. energy: 0.272
local terms energy: -51.519194
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -10.024
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: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -126.831213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.831213 (E_RNA)
where:
Base-Base interactions energy: -83.156
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.237
local terms energy: -43.437539
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.528
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: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -71.074661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.074661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.074661 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -19.364
Base-Backbone interact. energy: -0.341
local terms energy: -43.109837
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -0.673
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -185.175018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.175018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.175018 (E_RNA)
where:
Base-Base interactions energy: -116.154
where: short stacking energy: -52.645
Base-Backbone interact. energy: -0.268
local terms energy: -68.752792
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -190.574065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.574065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.574065 (E_RNA)
where:
Base-Base interactions energy: -136.704
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.144
local terms energy: -53.725077
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -153.497692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.497692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.497692 (E_RNA)
where:
Base-Base interactions energy: -91.062
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.096
local terms energy: -62.339175
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -104.537056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.537056 (E_RNA)
where:
Base-Base interactions energy: -55.356
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.058
local terms energy: -49.122814
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -99.173104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.173104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.173104 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -22.677
Base-Backbone interact. energy: -0.784
local terms energy: -50.388391
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -81.406091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.406091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.406091 (E_RNA)
where:
Base-Base interactions energy: -38.799
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.107
local terms energy: -42.499607
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -8.974
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: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -82.122644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.122644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.122644 (E_RNA)
where:
Base-Base interactions energy: -26.078
where: short stacking energy: -18.203
Base-Backbone interact. energy: -0.148
local terms energy: -55.896767
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -140.614931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.614931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.614931 (E_RNA)
where:
Base-Base interactions energy: -80.251
where: short stacking energy: -40.546
Base-Backbone interact. energy: 0.249
local terms energy: -60.612823
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -70.871789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.871789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.871789 (E_RNA)
where:
Base-Base interactions energy: -25.453
where: short stacking energy: -24.474
Base-Backbone interact. energy: -0.266
local terms energy: -45.152332
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -5.947
flat angles P-C4'-P energy: -8.819
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: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -83.666162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666162 (E_RNA)
where:
Base-Base interactions energy: -38.019
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.914
local terms energy: -44.733391
where:
bonds (distance) C4'-P energy: -7.378
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -183.162311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.162311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.162311 (E_RNA)
where:
Base-Base interactions energy: -121.180
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.772
local terms energy: -61.210874
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -173.276145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.276145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.276145 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -47.743
Base-Backbone interact. energy: -0.736
local terms energy: -62.120270
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -13.229
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: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -158.913406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.913406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.913406 (E_RNA)
where:
Base-Base interactions energy: -100.635
where: short stacking energy: -37.359
Base-Backbone interact. energy: -0.769
local terms energy: -57.508870
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -98.050681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.050681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.050681 (E_RNA)
where:
Base-Base interactions energy: -56.044
where: short stacking energy: -32.237
Base-Backbone interact. energy: 0.304
local terms energy: -42.310514
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -86.991557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.991557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.991557 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.183
local terms energy: -55.109681
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -94.288766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.288766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.288766 (E_RNA)
where:
Base-Base interactions energy: -45.681
where: short stacking energy: -29.031
Base-Backbone interact. energy: 0.265
local terms energy: -48.872814
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -146.077470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.077470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.077470 (E_RNA)
where:
Base-Base interactions energy: -87.851
where: short stacking energy: -46.084
Base-Backbone interact. energy: 0.802
local terms energy: -59.028259
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -12.941
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: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -79.769503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.769503 (E_RNA)
where:
Base-Base interactions energy: -26.650
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.009
local terms energy: -53.110623
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -76.528921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.528921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.528921 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -14.731
Base-Backbone interact. energy: -0.171
local terms energy: -44.061389
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -6.880
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: 1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -72.919466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.919466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.919466 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -23.464
Base-Backbone interact. energy: -0.185
local terms energy: -39.523240
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -197.980103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.980103 (E_RNA)
where:
Base-Base interactions energy: -141.914
where: short stacking energy: -48.529
Base-Backbone interact. energy: 1.484
local terms energy: -57.549660
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.720
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -172.629924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.629924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.629924 (E_RNA)
where:
Base-Base interactions energy: -110.075
where: short stacking energy: -41.843
Base-Backbone interact. energy: -0.753
local terms energy: -61.801601
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -175.971663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.971663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.971663 (E_RNA)
where:
Base-Base interactions energy: -113.326
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.025
local terms energy: -62.620522
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -9.529
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: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -109.622955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.622955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.622955 (E_RNA)
where:
Base-Base interactions energy: -54.760
where: short stacking energy: -41.215
Base-Backbone interact. energy: -0.117
local terms energy: -54.745387
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -96.003624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.003624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.003624 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.157
local terms energy: -52.129958
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -156.328710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.328710 (E_RNA)
where:
Base-Base interactions energy: -101.290
where: short stacking energy: -40.388
Base-Backbone interact. energy: -0.172
local terms energy: -54.865725
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -77.825930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825930 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.101
local terms energy: -46.663680
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -78.116472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.116472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.116472 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -30.659
Base-Backbone interact. energy: -0.072
local terms energy: -45.660200
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -72.837201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.837201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.837201 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -24.662
Base-Backbone interact. energy: 0.332
local terms energy: -41.280766
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -8.283
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: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -77.925368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925368 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.413
local terms energy: -36.750195
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: 3.049
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: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -174.340037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.340037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.340037 (E_RNA)
where:
Base-Base interactions energy: -111.423
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.183
local terms energy: -62.733287
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -9.972
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: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -195.344529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.344529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.344529 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.528
local terms energy: -61.480818
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -6.042
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: 26
Temperature: 1.000000
Total energy: -174.978504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.978504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.978504 (E_RNA)
where:
Base-Base interactions energy: -109.593
where: short stacking energy: -51.902
Base-Backbone interact. energy: -0.620
local terms energy: -64.765431
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -98.506044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.506044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.506044 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -42.069
Base-Backbone interact. energy: 0.116
local terms energy: -54.195524
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.385
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: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -169.273596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273596 (E_RNA)
where:
Base-Base interactions energy: -111.697
where: short stacking energy: -53.314
Base-Backbone interact. energy: -0.246
local terms energy: -57.330476
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -10.132
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -97.978255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.978255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.978255 (E_RNA)
where:
Base-Base interactions energy: -46.017
where: short stacking energy: -44.299
Base-Backbone interact. energy: -0.118
local terms energy: -51.843938
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -5.127
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: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -80.667119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.667119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.667119 (E_RNA)
where:
Base-Base interactions energy: -37.772
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.436
local terms energy: -42.459200
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -6.359
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -75.949061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.949061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.949061 (E_RNA)
where:
Base-Base interactions energy: -25.126
where: short stacking energy: -24.261
Base-Backbone interact. energy: -0.136
local terms energy: -50.687032
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.761
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: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -81.282246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.282246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.282246 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.083
local terms energy: -46.927923
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -1.816
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -72.344559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.344559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.344559 (E_RNA)
where:
Base-Base interactions energy: -23.296
where: short stacking energy: -21.186
Base-Backbone interact. energy: -0.578
local terms energy: -48.471105
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -6.549
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: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -170.545139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.545139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.545139 (E_RNA)
where:
Base-Base interactions energy: -108.916
where: short stacking energy: -50.204
Base-Backbone interact. energy: -0.067
local terms energy: -61.561590
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -181.937420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.937420 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -43.315
Base-Backbone interact. energy: -1.072
local terms energy: -57.606916
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -167.423379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.423379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.423379 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -52.663
Base-Backbone interact. energy: 3.857
local terms energy: -60.893373
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -164.452927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.452927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.452927 (E_RNA)
where:
Base-Base interactions energy: -95.002
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.041
local terms energy: -69.409632
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -16.438
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -126.798774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.798774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.798774 (E_RNA)
where:
Base-Base interactions energy: -69.208
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.005
local terms energy: -57.585163
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -11.071
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: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -87.935887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.935887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.935887 (E_RNA)
where:
Base-Base interactions energy: -50.205
where: short stacking energy: -12.826
Base-Backbone interact. energy: 1.243
local terms energy: -38.973641
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -11.288
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -79.050053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.050053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.050053 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -22.080
Base-Backbone interact. energy: -0.509
local terms energy: -45.757388
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -78.981558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.981558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.981558 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -25.495
Base-Backbone interact. energy: -0.196
local terms energy: -52.160789
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -4.978
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: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -67.592008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.592008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.592008 (E_RNA)
where:
Base-Base interactions energy: -27.577
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.125
local terms energy: -39.890605
where:
bonds (distance) C4'-P energy: -7.223
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -69.921355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.921355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.921355 (E_RNA)
where:
Base-Base interactions energy: -20.398
where: short stacking energy: -20.355
Base-Backbone interact. energy: -0.127
local terms energy: -49.396648
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.357
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -200.996094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.996094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.996094 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.327
local terms energy: -58.211082
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -159.720073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.720073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.720073 (E_RNA)
where:
Base-Base interactions energy: -97.014
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.022
local terms energy: -62.684178
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -181.755429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.755429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.755429 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.285
local terms energy: -50.013242
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -172.136336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.136336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.136336 (E_RNA)
where:
Base-Base interactions energy: -108.034
where: short stacking energy: -51.143
Base-Backbone interact. energy: -0.011
local terms energy: -64.091145
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -13.018
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -136.699734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.699734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.699734 (E_RNA)
where:
Base-Base interactions energy: -82.543
where: short stacking energy: -36.705
Base-Backbone interact. energy: -1.243
local terms energy: -52.913372
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -89.703569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.703569 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -20.578
Base-Backbone interact. energy: -0.222
local terms energy: -47.478982
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -5.567
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -91.686441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.686441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.686441 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -41.136
Base-Backbone interact. energy: -0.021
local terms energy: -50.529171
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -94.840164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840164 (E_RNA)
where:
Base-Base interactions energy: -43.943
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.327
local terms energy: -50.569933
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -5.218
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: 28
Temperature: 1.300000
Total energy: -77.616115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.616115 (E_RNA)
where:
Base-Base interactions energy: -37.546
where: short stacking energy: -18.678
Base-Backbone interact. energy: -0.219
local terms energy: -39.851178
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -5.551
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: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -65.900994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.900994 (E_RNA)
where:
Base-Base interactions energy: -20.387
where: short stacking energy: -20.387
Base-Backbone interact. energy: -0.169
local terms energy: -45.344835
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -188.357364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.357364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.357364 (E_RNA)
where:
Base-Base interactions energy: -130.206
where: short stacking energy: -54.155
Base-Backbone interact. energy: -0.293
local terms energy: -57.858437
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -184.147611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.147611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.147611 (E_RNA)
where:
Base-Base interactions energy: -126.758
where: short stacking energy: -52.093
Base-Backbone interact. energy: -1.124
local terms energy: -56.266407
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -10.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -150.488421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.488421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.488421 (E_RNA)
where:
Base-Base interactions energy: -92.052
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.177
local terms energy: -58.259696
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -1.670
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: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -142.811875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.811875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.811875 (E_RNA)
where:
Base-Base interactions energy: -93.386
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.178
local terms energy: -49.246989
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -10.032
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: 29
Temperature: 1.100000
Total energy: -150.364635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.364635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.364635 (E_RNA)
where:
Base-Base interactions energy: -93.127
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.695
local terms energy: -56.542469
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -9.953
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: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -106.062400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.062400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.062400 (E_RNA)
where:
Base-Base interactions energy: -51.596
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.003
local terms energy: -54.463694
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -91.264058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264058 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.471
local terms energy: -51.502081
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -5.975
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: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -84.985170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.985170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.985170 (E_RNA)
where:
Base-Base interactions energy: -36.117
where: short stacking energy: -24.877
Base-Backbone interact. energy: -0.432
local terms energy: -48.436383
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -76.816223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.816223 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.036
local terms energy: -42.698286
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -93.887250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.887250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.887250 (E_RNA)
where:
Base-Base interactions energy: -49.474
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.013
local terms energy: -44.399817
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -7.547
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: 30
Temperature: 0.900000
Total energy: -182.454144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.454144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.454144 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -55.403
Base-Backbone interact. energy: -0.411
local terms energy: -61.590835
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -15.044
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -185.843910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.843910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.843910 (E_RNA)
where:
Base-Base interactions energy: -126.233
where: short stacking energy: -53.108
Base-Backbone interact. energy: -1.302
local terms energy: -58.309455
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -144.668356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.668356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.668356 (E_RNA)
where:
Base-Base interactions energy: -82.425
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.488
local terms energy: -61.755606
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -140.596300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.596300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.596300 (E_RNA)
where:
Base-Base interactions energy: -87.820
where: short stacking energy: -46.131
Base-Backbone interact. energy: 0.572
local terms energy: -53.347424
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -157.886807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.886807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.886807 (E_RNA)
where:
Base-Base interactions energy: -96.588
where: short stacking energy: -46.512
Base-Backbone interact. energy: -0.359
local terms energy: -60.939954
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -8.021
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: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -94.449784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.449784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.449784 (E_RNA)
where:
Base-Base interactions energy: -36.395
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.043
local terms energy: -58.011756
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -87.277717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277717 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -22.157
Base-Backbone interact. energy: -0.344
local terms energy: -48.867879
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -3.989
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: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -75.769046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769046 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -21.951
Base-Backbone interact. energy: 1.251
local terms energy: -38.000889
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: 1.552
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -73.797707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.797707 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -18.556
Base-Backbone interact. energy: -0.368
local terms energy: -42.297136
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: 2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -78.072645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.072645 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -33.746
Base-Backbone interact. energy: -0.078
local terms energy: -44.248644
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -3.292
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -5.871
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -187.469937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.469937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.469937 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.090
local terms energy: -68.889777
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -180.069733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.069733 (E_RNA)
where:
Base-Base interactions energy: -116.198
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.740
local terms energy: -63.132487
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -14.620
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: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -141.650812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.650812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.650812 (E_RNA)
where:
Base-Base interactions energy: -84.545
where: short stacking energy: -47.105
Base-Backbone interact. energy: -1.063
local terms energy: -56.042671
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -149.387287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.387287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.387287 (E_RNA)
where:
Base-Base interactions energy: -98.728
where: short stacking energy: -31.981
Base-Backbone interact. energy: 0.760
local terms energy: -51.420113
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.112
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: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -170.034443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.034443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.034443 (E_RNA)
where:
Base-Base interactions energy: -114.019
where: short stacking energy: -47.631
Base-Backbone interact. energy: 0.277
local terms energy: -56.293024
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -87.198895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.198895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.198895 (E_RNA)
where:
Base-Base interactions energy: -38.635
where: short stacking energy: -37.899
Base-Backbone interact. energy: -0.066
local terms energy: -48.497904
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -4.369
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -85.326398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.326398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.326398 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.116
local terms energy: -47.523075
where:
bonds (distance) C4'-P energy: -3.332
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -91.016851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.016851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.016851 (E_RNA)
where:
Base-Base interactions energy: -50.043
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.195
local terms energy: -40.779101
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.480
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: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -77.277055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.277055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.277055 (E_RNA)
where:
Base-Base interactions energy: -22.713
where: short stacking energy: -21.214
Base-Backbone interact. energy: -0.320
local terms energy: -54.244668
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -68.341623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.341623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.341623 (E_RNA)
where:
Base-Base interactions energy: -21.311
where: short stacking energy: -21.261
Base-Backbone interact. energy: -0.034
local terms energy: -46.996775
where:
bonds (distance) C4'-P energy: -8.768
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -180.592324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.592324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.592324 (E_RNA)
where:
Base-Base interactions energy: -109.929
where: short stacking energy: -53.969
Base-Backbone interact. energy: -0.266
local terms energy: -70.397024
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -177.982958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.982958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.982958 (E_RNA)
where:
Base-Base interactions energy: -107.999
where: short stacking energy: -51.903
Base-Backbone interact. energy: -0.033
local terms energy: -69.950521
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -16.552
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -154.981032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.981032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.981032 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.238
local terms energy: -66.128262
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -13.231
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: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -142.244424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.244424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.244424 (E_RNA)
where:
Base-Base interactions energy: -88.881
where: short stacking energy: -35.743
Base-Backbone interact. energy: -0.350
local terms energy: -53.014167
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -141.811516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.811516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.811516 (E_RNA)
where:
Base-Base interactions energy: -95.457
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.316
local terms energy: -46.038374
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -90.724487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724487 (E_RNA)
where:
Base-Base interactions energy: -33.758
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.003
local terms energy: -56.963925
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -10.768
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: 32
Temperature: 1.200000
Total energy: -87.829342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.829342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.829342 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.086
local terms energy: -54.930352
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.130
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -80.038868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.038868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.038868 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -30.841
Base-Backbone interact. energy: -0.069
local terms energy: -46.949746
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -83.738640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.738640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.738640 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.020
local terms energy: -48.638614
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -7.425
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -73.657345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.657345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.657345 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.015
local terms energy: -43.906254
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -7.543
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -184.402319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.402319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.402319 (E_RNA)
where:
Base-Base interactions energy: -117.591
where: short stacking energy: -64.540
Base-Backbone interact. energy: -0.000
local terms energy: -66.811221
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -19.739
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: 33
Temperature: 0.950000
Total energy: -179.431933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.431933 (E_RNA)
where:
Base-Base interactions energy: -120.973
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.852
local terms energy: -57.607177
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -11.310
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: 33
Temperature: 1.000000
Total energy: -151.126896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.126896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.126896 (E_RNA)
where:
Base-Base interactions energy: -87.392
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.242
local terms energy: -63.492654
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -151.688380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.688380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.688380 (E_RNA)
where:
Base-Base interactions energy: -100.822
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.250
local terms energy: -50.616828
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -7.647
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: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -134.839645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.839645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.839645 (E_RNA)
where:
Base-Base interactions energy: -80.648
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.276
local terms energy: -53.914962
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -12.906
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: 33
Temperature: 1.150000
Total energy: -93.620658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620658 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.063
local terms energy: -57.035388
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -85.571904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.571904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.571904 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.001
local terms energy: -49.153620
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -8.229
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: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -81.598701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598701 (E_RNA)
where:
Base-Base interactions energy: -29.658
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.000
local terms energy: -51.940242
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -72.173033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.173033 (E_RNA)
where:
Base-Base interactions energy: -22.741
where: short stacking energy: -22.741
Base-Backbone interact. energy: -0.020
local terms energy: -49.411445
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -11.918
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -71.000828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.000828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.000828 (E_RNA)
where:
Base-Base interactions energy: -21.151
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.204
local terms energy: -49.646460
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -178.538564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.538564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.538564 (E_RNA)
where:
Base-Base interactions energy: -114.729
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.003
local terms energy: -63.806856
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -175.612546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.612546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.612546 (E_RNA)
where:
Base-Base interactions energy: -111.433
where: short stacking energy: -53.231
Base-Backbone interact. energy: -0.129
local terms energy: -64.050933
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -172.226829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.226829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.226829 (E_RNA)
where:
Base-Base interactions energy: -108.746
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.030
local terms energy: -63.451171
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -139.589485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.589485 (E_RNA)
where:
Base-Base interactions energy: -78.943
where: short stacking energy: -37.549
Base-Backbone interact. energy: -0.053
local terms energy: -60.594156
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -161.138075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.138075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.138075 (E_RNA)
where:
Base-Base interactions energy: -107.892
where: short stacking energy: -48.538
Base-Backbone interact. energy: 0.090
local terms energy: -53.336327
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -7.674
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -100.886685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.886685 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -33.596
Base-Backbone interact. energy: 0.649
local terms energy: -61.001450
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -9.856
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -80.341016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341016 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.008
local terms energy: -50.925638
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -83.951165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951165 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -22.332
Base-Backbone interact. energy: -0.072
local terms energy: -48.665420
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.460666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.460666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.460666 (E_RNA)
where:
Base-Base interactions energy: -39.944
where: short stacking energy: -27.208
Base-Backbone interact. energy: -0.079
local terms energy: -41.437414
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -6.416
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -7.168
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -76.326373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.326373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.326373 (E_RNA)
where:
Base-Base interactions energy: -35.563
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.621
local terms energy: -40.142246
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -177.379937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.379937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.379937 (E_RNA)
where:
Base-Base interactions energy: -103.788
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.004
local terms energy: -73.587529
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -182.227603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.227603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.227603 (E_RNA)
where:
Base-Base interactions energy: -112.184
where: short stacking energy: -51.063
Base-Backbone interact. energy: -2.312
local terms energy: -67.731641
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -171.864941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.864941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.864941 (E_RNA)
where:
Base-Base interactions energy: -104.148
where: short stacking energy: -52.971
Base-Backbone interact. energy: -1.528
local terms energy: -66.188848
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -150.067349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.067349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.067349 (E_RNA)
where:
Base-Base interactions energy: -91.955
where: short stacking energy: -51.054
Base-Backbone interact. energy: -0.091
local terms energy: -58.021632
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -9.677
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: 35
Temperature: 1.100000
Total energy: -137.143562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.143562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.143562 (E_RNA)
where:
Base-Base interactions energy: -83.410
where: short stacking energy: -48.192
Base-Backbone interact. energy: 0.343
local terms energy: -54.076286
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -11.222
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: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -88.410652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.410652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.410652 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.010
local terms energy: -49.837194
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -91.687269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.687269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.687269 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.011
local terms energy: -54.673803
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -8.798
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: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -78.999785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999785 (E_RNA)
where:
Base-Base interactions energy: -32.674
where: short stacking energy: -22.371
Base-Backbone interact. energy: -0.190
local terms energy: -46.135288
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -2.238
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: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -71.331710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.331710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.331710 (E_RNA)
where:
Base-Base interactions energy: -20.700
where: short stacking energy: -20.305
Base-Backbone interact. energy: -0.037
local terms energy: -50.594805
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -2.838
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: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -66.488220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.488220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.488220 (E_RNA)
where:
Base-Base interactions energy: -20.821
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.102
local terms energy: -45.564957
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -191.977185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.977185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.977185 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -56.087
Base-Backbone interact. energy: -0.068
local terms energy: -68.301604
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -170.204692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.204692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.204692 (E_RNA)
where:
Base-Base interactions energy: -105.850
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.383
local terms energy: -63.971652
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -12.911
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: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -184.694741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.694741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.694741 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -55.854
Base-Backbone interact. energy: -1.105
local terms energy: -61.740238
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -161.707119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.707119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.707119 (E_RNA)
where:
Base-Base interactions energy: -97.489
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.444
local terms energy: -63.774027
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -138.259208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.259208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.259208 (E_RNA)
where:
Base-Base interactions energy: -86.478
where: short stacking energy: -41.838
Base-Backbone interact. energy: 0.722
local terms energy: -52.503631
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -7.691
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: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -96.950036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.950036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.950036 (E_RNA)
where:
Base-Base interactions energy: -44.269
where: short stacking energy: -44.269
Base-Backbone interact. energy: 0.529
local terms energy: -53.210025
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -84.871264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.871264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.871264 (E_RNA)
where:
Base-Base interactions energy: -39.127
where: short stacking energy: -28.677
Base-Backbone interact. energy: 1.078
local terms energy: -46.821383
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -2.457
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: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -83.506496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506496 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -14.343
Base-Backbone interact. energy: -0.397
local terms energy: -38.939503
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -71.455112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.455112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.455112 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -20.067
Base-Backbone interact. energy: -0.669
local terms energy: -47.098501
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -76.063984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.063984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.063984 (E_RNA)
where:
Base-Base interactions energy: -24.751
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.280
local terms energy: -51.033484
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -170.223362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.223362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.223362 (E_RNA)
where:
Base-Base interactions energy: -113.112
where: short stacking energy: -47.741
Base-Backbone interact. energy: 0.921
local terms energy: -58.031906
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -167.711808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.711808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.711808 (E_RNA)
where:
Base-Base interactions energy: -110.927
where: short stacking energy: -45.559
Base-Backbone interact. energy: -0.448
local terms energy: -56.336748
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -154.407209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.407209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.407209 (E_RNA)
where:
Base-Base interactions energy: -89.000
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.431
local terms energy: -64.976811
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -11.791
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -170.431495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.431495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.431495 (E_RNA)
where:
Base-Base interactions energy: -106.545
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.087
local terms energy: -63.799437
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -149.785720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.785720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.785720 (E_RNA)
where:
Base-Base interactions energy: -89.181
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.350
local terms energy: -60.254680
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -112.882345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.882345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.882345 (E_RNA)
where:
Base-Base interactions energy: -63.293
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.015
local terms energy: -49.574296
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.603
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: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -94.038085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.038085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.038085 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.380
local terms energy: -54.419719
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -2.696
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: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -78.012107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.012107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.012107 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.020
local terms energy: -36.915733
where:
bonds (distance) C4'-P energy: -6.010
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -82.823475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823475 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.228
local terms energy: -44.014539
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -5.452
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -63.494666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.494666 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -19.079
Base-Backbone interact. energy: -0.110
local terms energy: -32.548042
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -3.236
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -2.257
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: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -179.568324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.568324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.568324 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.214
local terms energy: -67.326135
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -12.817
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -169.351365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.351365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.351365 (E_RNA)
where:
Base-Base interactions energy: -110.557
where: short stacking energy: -52.448
Base-Backbone interact. energy: 0.671
local terms energy: -59.465399
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -8.422
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: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -171.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.845161 (E_RNA)
where:
Base-Base interactions energy: -104.661
where: short stacking energy: -52.673
Base-Backbone interact. energy: -0.724
local terms energy: -66.460046
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -167.266631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.266631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.266631 (E_RNA)
where:
Base-Base interactions energy: -112.582
where: short stacking energy: -55.790
Base-Backbone interact. energy: -0.386
local terms energy: -54.299325
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -133.598367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.598367 (E_RNA)
where:
Base-Base interactions energy: -80.166
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.121
local terms energy: -53.310730
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -85.530143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530143 (E_RNA)
where:
Base-Base interactions energy: -31.806
where: short stacking energy: -22.603
Base-Backbone interact. energy: -0.130
local terms energy: -53.593305
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -78.388548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388548 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.656
local terms energy: -36.239771
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -90.670840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.670840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.670840 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.133
local terms energy: -45.203567
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -81.160850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160850 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -20.431
Base-Backbone interact. energy: -0.099
local terms energy: -48.609332
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -5.503
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: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -64.863875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.863875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.863875 (E_RNA)
where:
Base-Base interactions energy: -22.533
where: short stacking energy: -21.115
Base-Backbone interact. energy: -0.102
local terms energy: -42.228899
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -5.270
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: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -178.923212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.923212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.923212 (E_RNA)
where:
Base-Base interactions energy: -111.500
where: short stacking energy: -54.567
Base-Backbone interact. energy: -0.593
local terms energy: -66.830195
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -169.930237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.930237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.930237 (E_RNA)
where:
Base-Base interactions energy: -107.732
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.392
local terms energy: -61.805881
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.565
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: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -169.252710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.252710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.252710 (E_RNA)
where:
Base-Base interactions energy: -110.431
where: short stacking energy: -49.773
Base-Backbone interact. energy: -0.571
local terms energy: -58.250471
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -160.441798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.441798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.441798 (E_RNA)
where:
Base-Base interactions energy: -103.022
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.064
local terms energy: -57.355333
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.268
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -122.643552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.643552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.643552 (E_RNA)
where:
Base-Base interactions energy: -65.355
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.139
local terms energy: -57.150253
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -89.756716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.756716 (E_RNA)
where:
Base-Base interactions energy: -41.321
where: short stacking energy: -22.788
Base-Backbone interact. energy: -0.312
local terms energy: -48.123620
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -3.102
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -97.211775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.211775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.211775 (E_RNA)
where:
Base-Base interactions energy: -47.483
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.016
local terms energy: -49.713386
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -81.668595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668595 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -24.590
Base-Backbone interact. energy: -0.145
local terms energy: -47.963814
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -70.346108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.346108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.346108 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -20.823
Base-Backbone interact. energy: -0.138
local terms energy: -39.486327
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -78.713809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713809 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.360
local terms energy: -44.717509
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -186.537049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.537049 (E_RNA)
where:
Base-Base interactions energy: -121.423
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.094
local terms energy: -65.020093
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -163.252680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.252680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.252680 (E_RNA)
where:
Base-Base interactions energy: -91.981
where: short stacking energy: -47.013
Base-Backbone interact. energy: -0.024
local terms energy: -71.246914
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -172.639883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.639883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.639883 (E_RNA)
where:
Base-Base interactions energy: -113.763
where: short stacking energy: -51.219
Base-Backbone interact. energy: -0.601
local terms energy: -58.276160
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -166.586146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.586146 (E_RNA)
where:
Base-Base interactions energy: -102.152
where: short stacking energy: -57.097
Base-Backbone interact. energy: 0.717
local terms energy: -65.151120
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -14.710
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: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -135.977117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.977117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.977117 (E_RNA)
where:
Base-Base interactions energy: -86.712
where: short stacking energy: -37.280
Base-Backbone interact. energy: -0.248
local terms energy: -49.017563
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -94.650677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.650677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.650677 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.131
local terms energy: -57.614681
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -9.732
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: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -95.143470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.143470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.143470 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -38.984
Base-Backbone interact. energy: -0.079
local terms energy: -56.081011
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -71.359565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.359565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.359565 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.001
local terms energy: -43.442689
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -8.693
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: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -68.531649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.531649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.531649 (E_RNA)
where:
Base-Base interactions energy: -22.482
where: short stacking energy: -15.936
Base-Backbone interact. energy: -1.113
local terms energy: -44.937164
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.255
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: 40
Temperature: 1.350000
Total energy: -62.932097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.932097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.932097 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -21.016
Base-Backbone interact. energy: 6.766
local terms energy: -36.986635
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: 2.664
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: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -182.807806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.807806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.807806 (E_RNA)
where:
Base-Base interactions energy: -123.649
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.783
local terms energy: -58.375623
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -177.187244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187244 (E_RNA)
where:
Base-Base interactions energy: -108.192
where: short stacking energy: -50.912
Base-Backbone interact. energy: -1.708
local terms energy: -67.287311
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -10.352
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: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -162.019528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.019528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.019528 (E_RNA)
where:
Base-Base interactions energy: -99.184
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.174
local terms energy: -62.662249
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -163.944924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.944924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.944924 (E_RNA)
where:
Base-Base interactions energy: -95.633
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.144
local terms energy: -68.167812
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -140.432276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.432276 (E_RNA)
where:
Base-Base interactions energy: -85.156
where: short stacking energy: -38.427
Base-Backbone interact. energy: 0.199
local terms energy: -55.475579
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -7.783
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: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -82.802327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.802327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.802327 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.010
local terms energy: -46.755193
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -85.340217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.340217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.340217 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -35.119
Base-Backbone interact. energy: 1.931
local terms energy: -45.169894
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -79.480060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.480060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.480060 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -24.970
Base-Backbone interact. energy: 0.868
local terms energy: -40.771282
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -2.470
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: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -65.438102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.438102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.438102 (E_RNA)
where:
Base-Base interactions energy: -13.043
where: short stacking energy: -13.043
Base-Backbone interact. energy: -0.208
local terms energy: -52.187212
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -74.271392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.271392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.271392 (E_RNA)
where:
Base-Base interactions energy: -24.370
where: short stacking energy: -21.966
Base-Backbone interact. energy: -1.011
local terms energy: -48.890755
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -7.211
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: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -182.797232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.797232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.797232 (E_RNA)
where:
Base-Base interactions energy: -112.664
where: short stacking energy: -51.704
Base-Backbone interact. energy: -1.629
local terms energy: -68.504141
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -13.344
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -172.736848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.736848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.736848 (E_RNA)
where:
Base-Base interactions energy: -107.361
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.514
local terms energy: -64.861931
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -178.002185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.002185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.002185 (E_RNA)
where:
Base-Base interactions energy: -110.150
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.089
local terms energy: -67.763219
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -159.101808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.101808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.101808 (E_RNA)
where:
Base-Base interactions energy: -99.469
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.133
local terms energy: -59.500011
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -133.353229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.353229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.353229 (E_RNA)
where:
Base-Base interactions energy: -74.011
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.159
local terms energy: -59.183004
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -12.467
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: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -86.203928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.203928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.203928 (E_RNA)
where:
Base-Base interactions energy: -39.707
where: short stacking energy: -36.929
Base-Backbone interact. energy: 2.151
local terms energy: -48.647696
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -5.186
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -78.814069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.814069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.814069 (E_RNA)
where:
Base-Base interactions energy: -33.290
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.006
local terms energy: -45.518206
where:
bonds (distance) C4'-P energy: -5.776
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -81.210330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210330 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.225
local terms energy: -53.069637
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -72.273695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.273695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.273695 (E_RNA)
where:
Base-Base interactions energy: -22.290
where: short stacking energy: -21.530
Base-Backbone interact. energy: -0.229
local terms energy: -49.754514
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -75.014581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.014581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.014581 (E_RNA)
where:
Base-Base interactions energy: -26.062
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.097
local terms energy: -48.856342
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -6.898
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: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -177.740655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.740655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.740655 (E_RNA)
where:
Base-Base interactions energy: -110.582
where: short stacking energy: -53.977
Base-Backbone interact. energy: -0.001
local terms energy: -67.158358
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -180.288491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.288491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.288491 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -58.963
Base-Backbone interact. energy: -0.195
local terms energy: -65.419959
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -167.832223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.832223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.832223 (E_RNA)
where:
Base-Base interactions energy: -97.273
where: short stacking energy: -47.217
Base-Backbone interact. energy: -0.877
local terms energy: -69.682375
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -13.327
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: 43
Temperature: 1.050000
Total energy: -172.031831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.031831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.031831 (E_RNA)
where:
Base-Base interactions energy: -105.960
where: short stacking energy: -53.817
Base-Backbone interact. energy: -0.502
local terms energy: -65.569919
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -130.979359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.979359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.979359 (E_RNA)
where:
Base-Base interactions energy: -81.623
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.931
local terms energy: -48.425484
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.101
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -96.585702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.585702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.585702 (E_RNA)
where:
Base-Base interactions energy: -46.240
where: short stacking energy: -28.025
Base-Backbone interact. energy: 0.059
local terms energy: -50.405056
where:
bonds (distance) C4'-P energy: -7.328
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -10.604
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: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -91.301427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301427 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.073
local terms energy: -51.872886
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -5.032
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: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -85.864676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.864676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.864676 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.119
local terms energy: -48.694077
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -5.930
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: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -71.225590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.225590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.225590 (E_RNA)
where:
Base-Base interactions energy: -24.955
where: short stacking energy: -23.293
Base-Backbone interact. energy: -0.383
local terms energy: -45.887514
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -71.643024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.643024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.643024 (E_RNA)
where:
Base-Base interactions energy: -22.069
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.118
local terms energy: -49.456132
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.264
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: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -179.413462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.413462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.413462 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.283
local terms energy: -60.600066
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.535
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: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -165.985107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.985107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.985107 (E_RNA)
where:
Base-Base interactions energy: -102.701
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.071
local terms energy: -63.213324
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.525
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: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -170.069562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.069562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.069562 (E_RNA)
where:
Base-Base interactions energy: -108.425
where: short stacking energy: -49.520
Base-Backbone interact. energy: -2.661
local terms energy: -58.983902
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -164.989447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.989447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.989447 (E_RNA)
where:
Base-Base interactions energy: -108.590
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.386
local terms energy: -56.014146
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -145.724673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.724673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.724673 (E_RNA)
where:
Base-Base interactions energy: -83.443
where: short stacking energy: -41.333
Base-Backbone interact. energy: -0.116
local terms energy: -62.166361
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -99.435338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.435338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.435338 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -31.768
Base-Backbone interact. energy: -0.077
local terms energy: -52.363060
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -8.620
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: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -91.803253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.803253 (E_RNA)
where:
Base-Base interactions energy: -44.839
where: short stacking energy: -34.856
Base-Backbone interact. energy: -0.594
local terms energy: -46.369936
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -84.843743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.843743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.843743 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -27.175
Base-Backbone interact. energy: -0.300
local terms energy: -52.044487
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -92.527042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527042 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.081
local terms energy: -52.310677
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.622869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.622869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.622869 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -23.315
Base-Backbone interact. energy: 0.501
local terms energy: -44.245012
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -178.250800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.250800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.250800 (E_RNA)
where:
Base-Base interactions energy: -110.790
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.084
local terms energy: -67.376019
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -5.028
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: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -176.839493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.839493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.839493 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.002
local terms energy: -72.320939
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -161.597064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597064 (E_RNA)
where:
Base-Base interactions energy: -101.920
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.218
local terms energy: -59.458847
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -140.451756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.451756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.451756 (E_RNA)
where:
Base-Base interactions energy: -82.401
where: short stacking energy: -26.491
Base-Backbone interact. energy: -0.805
local terms energy: -57.245729
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.302
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -163.507351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.507351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.507351 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.208
local terms energy: -61.272327
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -12.976
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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -97.383734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.383734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.383734 (E_RNA)
where:
Base-Base interactions energy: -44.727
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.282
local terms energy: -52.374604
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -78.431371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.431371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.431371 (E_RNA)
where:
Base-Base interactions energy: -33.766
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.173
local terms energy: -44.492213
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -4.825
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: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -74.286456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.286456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.286456 (E_RNA)
where:
Base-Base interactions energy: -26.316
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.146
local terms energy: -47.824529
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -74.506087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.506087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.506087 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -21.594
Base-Backbone interact. energy: -0.214
local terms energy: -45.387809
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -9.524
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: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -69.974266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.974266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.974266 (E_RNA)
where:
Base-Base interactions energy: -19.161
where: short stacking energy: -19.161
Base-Backbone interact. energy: -0.109
local terms energy: -50.703763
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -178.001578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.001578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001578 (E_RNA)
where:
Base-Base interactions energy: -117.029
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.345
local terms energy: -60.627825
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -177.095753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.095753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.095753 (E_RNA)
where:
Base-Base interactions energy: -114.336
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.002
local terms energy: -62.758687
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -153.552628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.552628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.552628 (E_RNA)
where:
Base-Base interactions energy: -94.400
where: short stacking energy: -36.112
Base-Backbone interact. energy: -0.232
local terms energy: -58.920461
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -166.416875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.416875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.416875 (E_RNA)
where:
Base-Base interactions energy: -102.535
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.105
local terms energy: -63.776825
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -155.386146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.386146 (E_RNA)
where:
Base-Base interactions energy: -94.318
where: short stacking energy: -44.123
Base-Backbone interact. energy: -0.263
local terms energy: -60.804767
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.880
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: 46
Temperature: 1.150000
Total energy: -109.425232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.425232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.425232 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.364
local terms energy: -51.949070
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -77.934171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.934171 (E_RNA)
where:
Base-Base interactions energy: -24.852
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.286
local terms energy: -52.795342
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -90.708060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.708060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.708060 (E_RNA)
where:
Base-Base interactions energy: -41.979
where: short stacking energy: -33.632
Base-Backbone interact. energy: -0.109
local terms energy: -48.620642
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -67.556944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.556944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.556944 (E_RNA)
where:
Base-Base interactions energy: -21.339
where: short stacking energy: -21.339
Base-Backbone interact. energy: -0.470
local terms energy: -45.747905
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -0.539
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.965633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.965633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.965633 (E_RNA)
where:
Base-Base interactions energy: -24.339
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.074
local terms energy: -51.552025
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.263
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: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -182.938364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.938364 (E_RNA)
where:
Base-Base interactions energy: -115.072
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.001
local terms energy: -67.865166
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -175.846437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.846437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.846437 (E_RNA)
where:
Base-Base interactions energy: -107.708
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.293
local terms energy: -67.846181
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -147.229352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.229352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.229352 (E_RNA)
where:
Base-Base interactions energy: -83.476
where: short stacking energy: -39.475
Base-Backbone interact. energy: -0.075
local terms energy: -63.678503
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -158.990086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.990086 (E_RNA)
where:
Base-Base interactions energy: -92.479
where: short stacking energy: -50.606
Base-Backbone interact. energy: -0.121
local terms energy: -66.389915
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.912
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -153.347791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.347791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.347791 (E_RNA)
where:
Base-Base interactions energy: -96.538
where: short stacking energy: -46.384
Base-Backbone interact. energy: 0.014
local terms energy: -56.823227
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -10.353
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: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -107.268873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.268873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.268873 (E_RNA)
where:
Base-Base interactions energy: -57.724
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.115
local terms energy: -49.429856
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -90.076103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.076103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.076103 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -31.658
Base-Backbone interact. energy: -0.010
local terms energy: -49.368522
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -77.704993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704993 (E_RNA)
where:
Base-Base interactions energy: -43.607
where: short stacking energy: -24.669
Base-Backbone interact. energy: 0.037
local terms energy: -34.134863
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -8.180
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.322
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: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -86.110252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.110252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.110252 (E_RNA)
where:
Base-Base interactions energy: -47.220
where: short stacking energy: -29.653
Base-Backbone interact. energy: -0.052
local terms energy: -38.838122
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -72.388590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.388590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.388590 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.157
local terms energy: -40.947339
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: 2.211
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: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -182.176116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.176116 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.891
local terms energy: -65.581972
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -176.670421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670421 (E_RNA)
where:
Base-Base interactions energy: -105.390
where: short stacking energy: -56.848
Base-Backbone interact. energy: 0.670
local terms energy: -71.950439
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -162.458501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.458501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.458501 (E_RNA)
where:
Base-Base interactions energy: -100.947
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.030
local terms energy: -61.481628
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -136.694425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.694425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.694425 (E_RNA)
where:
Base-Base interactions energy: -80.315
where: short stacking energy: -44.379
Base-Backbone interact. energy: -0.131
local terms energy: -56.248932
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -102.225502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.225502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.225502 (E_RNA)
where:
Base-Base interactions energy: -40.653
where: short stacking energy: -40.653
Base-Backbone interact. energy: -0.011
local terms energy: -61.561878
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -154.488447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.488447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.488447 (E_RNA)
where:
Base-Base interactions energy: -101.337
where: short stacking energy: -41.159
Base-Backbone interact. energy: -0.407
local terms energy: -52.744369
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -75.986576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.986576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.986576 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -19.733
Base-Backbone interact. energy: -0.159
local terms energy: -44.897370
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -71.946052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.946052 (E_RNA)
where:
Base-Base interactions energy: -26.996
where: short stacking energy: -18.809
Base-Backbone interact. energy: -0.066
local terms energy: -44.884757
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.919
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -74.148080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.148080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.148080 (E_RNA)
where:
Base-Base interactions energy: -26.328
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.294
local terms energy: -47.526355
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -73.023132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.023132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.023132 (E_RNA)
where:
Base-Base interactions energy: -30.497
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.029
local terms energy: -42.497308
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -9.677
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: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -181.935350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.935350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.935350 (E_RNA)
where:
Base-Base interactions energy: -113.562
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.498
local terms energy: -67.875411
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.070
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: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -180.672031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.672031 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.010
local terms energy: -70.635139
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -164.271735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.271735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.271735 (E_RNA)
where:
Base-Base interactions energy: -102.991
where: short stacking energy: -43.608
Base-Backbone interact. energy: -0.856
local terms energy: -60.424455
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -11.436
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: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -139.533923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.533923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.533923 (E_RNA)
where:
Base-Base interactions energy: -77.344
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.774
local terms energy: -61.415010
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -97.855591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855591 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -42.404
Base-Backbone interact. energy: -0.052
local terms energy: -55.399722
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -5.997
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: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -137.861596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.861596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.861596 (E_RNA)
where:
Base-Base interactions energy: -90.216
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.264
local terms energy: -47.381331
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -8.028
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: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -84.691566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.691566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.691566 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.036
local terms energy: -55.730015
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.479
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
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: -39.807
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.225
local terms energy: -43.433259
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -8.006
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: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -78.976831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976831 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.165
local terms energy: -49.140316
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -64.765024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.765024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.765024 (E_RNA)
where:
Base-Base interactions energy: -23.082
where: short stacking energy: -23.482
Base-Backbone interact. energy: -0.198
local terms energy: -41.484355
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -3.554
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -1.591
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: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -175.004964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.004964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.004964 (E_RNA)
where:
Base-Base interactions energy: -102.198
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.988
local terms energy: -71.819710
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.077
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: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -176.252043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.252043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.252043 (E_RNA)
where:
Base-Base interactions energy: -107.171
where: short stacking energy: -53.764
Base-Backbone interact. energy: -0.910
local terms energy: -68.170841
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -184.847734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.847734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.847734 (E_RNA)
where:
Base-Base interactions energy: -118.002
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.881
local terms energy: -65.964757
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -139.538312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.538312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.538312 (E_RNA)
where:
Base-Base interactions energy: -81.001
where: short stacking energy: -37.852
Base-Backbone interact. energy: -0.222
local terms energy: -58.315716
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -7.075
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -159.483342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.483342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.483342 (E_RNA)
where:
Base-Base interactions energy: -95.924
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.162
local terms energy: -63.397560
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -94.045989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.045989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.045989 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -29.542
Base-Backbone interact. energy: -0.059
local terms energy: -52.320511
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -6.121
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: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -104.139732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.139732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.139732 (E_RNA)
where:
Base-Base interactions energy: -54.661
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.048
local terms energy: -49.429795
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -73.156309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.156309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.156309 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -27.928
Base-Backbone interact. energy: 0.439
local terms energy: -42.116738
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -6.327
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -77.624929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624929 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -10.555
Base-Backbone interact. energy: -0.036
local terms energy: -47.848214
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -10.863
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: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -61.840483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.840483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.840483 (E_RNA)
where:
Base-Base interactions energy: -18.342
where: short stacking energy: -18.342
Base-Backbone interact. energy: -0.580
local terms energy: -42.918675
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: 2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -181.662712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.662712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.662712 (E_RNA)
where:
Base-Base interactions energy: -113.920
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.029
local terms energy: -67.712934
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -18.296
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -169.245997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.245997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.245997 (E_RNA)
where:
Base-Base interactions energy: -109.064
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.683
local terms energy: -59.499649
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -168.444875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.444875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.444875 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -60.663
Base-Backbone interact. energy: -0.529
local terms energy: -64.295315
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -170.659571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.659571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.659571 (E_RNA)
where:
Base-Base interactions energy: -109.421
where: short stacking energy: -49.685
Base-Backbone interact. energy: -0.687
local terms energy: -60.550912
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -138.991648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.991648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.991648 (E_RNA)
where:
Base-Base interactions energy: -84.382
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.343
local terms energy: -54.266373
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -93.795976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795976 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -38.698
Base-Backbone interact. energy: -0.087
local terms energy: -55.011114
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -82.218189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.218189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.218189 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -36.866
Base-Backbone interact. energy: -0.254
local terms energy: -44.651394
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -3.124
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: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -78.549888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.549888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.549888 (E_RNA)
where:
Base-Base interactions energy: -36.408
where: short stacking energy: -23.120
Base-Backbone interact. energy: -0.815
local terms energy: -41.326773
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -71.009414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.009414 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.066
local terms energy: -39.030456
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -8.277
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -68.564873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.564873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.564873 (E_RNA)
where:
Base-Base interactions energy: -26.909
where: short stacking energy: -19.783
Base-Backbone interact. energy: 1.047
local terms energy: -42.703192
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -5.164
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: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -176.786380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.786380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.786380 (E_RNA)
where:
Base-Base interactions energy: -122.363
where: short stacking energy: -45.994
Base-Backbone interact. energy: -0.422
local terms energy: -54.001815
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -5.666
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: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -179.445534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.445534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.445534 (E_RNA)
where:
Base-Base interactions energy: -115.222
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.393
local terms energy: -63.830728
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -170.893773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.893773 (E_RNA)
where:
Base-Base interactions energy: -102.864
where: short stacking energy: -54.841
Base-Backbone interact. energy: -0.094
local terms energy: -67.935381
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -156.243329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.243329 (E_RNA)
where:
Base-Base interactions energy: -104.374
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.124
local terms energy: -51.745191
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -10.276
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: 52
Temperature: 1.100000
Total energy: -148.471994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.471994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.471994 (E_RNA)
where:
Base-Base interactions energy: -82.423
where: short stacking energy: -45.246
Base-Backbone interact. energy: -0.220
local terms energy: -65.829537
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -81.508243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.508243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.508243 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -27.402
Base-Backbone interact. energy: 0.011
local terms energy: -52.901421
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -6.056
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -81.324572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.324572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.324572 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.141
local terms energy: -49.734420
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -11.396
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: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -71.591904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.591904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.591904 (E_RNA)
where:
Base-Base interactions energy: -26.332
where: short stacking energy: -24.461
Base-Backbone interact. energy: -0.171
local terms energy: -45.089340
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -1.746
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: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -63.622336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.622336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.622336 (E_RNA)
where:
Base-Base interactions energy: -23.731
where: short stacking energy: -23.298
Base-Backbone interact. energy: -0.176
local terms energy: -39.715965
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: 0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -82.836869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.836869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.836869 (E_RNA)
where:
Base-Base interactions energy: -38.772
where: short stacking energy: -30.496
Base-Backbone interact. energy: 2.405
local terms energy: -46.470017
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -171.805490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.805490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.805490 (E_RNA)
where:
Base-Base interactions energy: -106.649
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.574
local terms energy: -64.581875
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -13.705
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -173.782146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782146 (E_RNA)
where:
Base-Base interactions energy: -108.124
where: short stacking energy: -50.870
Base-Backbone interact. energy: -1.289
local terms energy: -64.369311
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -16.434
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -167.744888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.744888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.744888 (E_RNA)
where:
Base-Base interactions energy: -106.791
where: short stacking energy: -50.984
Base-Backbone interact. energy: -0.004
local terms energy: -60.949770
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -164.105258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.105258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.105258 (E_RNA)
where:
Base-Base interactions energy: -101.564
where: short stacking energy: -40.003
Base-Backbone interact. energy: -0.668
local terms energy: -61.872743
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.168
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -128.638149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.638149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.638149 (E_RNA)
where:
Base-Base interactions energy: -75.049
where: short stacking energy: -39.353
Base-Backbone interact. energy: -0.323
local terms energy: -53.265809
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -86.956965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956965 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -34.432
Base-Backbone interact. energy: 0.216
local terms energy: -52.491050
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -5.480
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: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -85.599863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599863 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.093
local terms energy: -41.037790
where:
bonds (distance) C4'-P energy: -5.204
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -1.502
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -80.358944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.358944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.358944 (E_RNA)
where:
Base-Base interactions energy: -29.640
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.169
local terms energy: -50.549585
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -75.215217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.215217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.215217 (E_RNA)
where:
Base-Base interactions energy: -28.633
where: short stacking energy: -10.183
Base-Backbone interact. energy: 0.930
local terms energy: -47.512257
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -8.394
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -72.807238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.807238 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -15.519
Base-Backbone interact. energy: -0.158
local terms energy: -43.846204
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: 2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -180.973952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.973952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.973952 (E_RNA)
where:
Base-Base interactions energy: -114.851
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.373
local terms energy: -65.750710
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -182.142117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.142117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.142117 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.233
local terms energy: -71.514024
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -18.438
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: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -175.849157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.849157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.849157 (E_RNA)
where:
Base-Base interactions energy: -109.061
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.008
local terms energy: -66.779803
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -157.557696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.557696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.557696 (E_RNA)
where:
Base-Base interactions energy: -94.978
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.539
local terms energy: -62.040955
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -138.285452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.285452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.285452 (E_RNA)
where:
Base-Base interactions energy: -87.912
where: short stacking energy: -35.498
Base-Backbone interact. energy: -0.303
local terms energy: -50.069916
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -5.727
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: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -89.587625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.587625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.587625 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.079
local terms energy: -54.342775
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -78.476187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.476187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.476187 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.099
local terms energy: -49.475786
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -78.328902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.328902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.328902 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.015
local terms energy: -46.584493
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -4.013
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: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -84.886499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.886499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.886499 (E_RNA)
where:
Base-Base interactions energy: -32.390
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.363
local terms energy: -52.132630
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -66.944985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.944985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.944985 (E_RNA)
where:
Base-Base interactions energy: -28.340
where: short stacking energy: -20.401
Base-Backbone interact. energy: -1.008
local terms energy: -37.597285
where:
bonds (distance) C4'-P energy: -6.720
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -181.495560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.495560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.495560 (E_RNA)
where:
Base-Base interactions energy: -123.819
where: short stacking energy: -55.981
Base-Backbone interact. energy: -0.790
local terms energy: -56.886462
where:
bonds (distance) C4'-P energy: -4.513
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -15.299
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: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -187.018561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018561 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.022
local terms energy: -67.848936
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -178.636791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.636791 (E_RNA)
where:
Base-Base interactions energy: -110.570
where: short stacking energy: -57.955
Base-Backbone interact. energy: -1.097
local terms energy: -66.970242
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -151.061075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.061075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.061075 (E_RNA)
where:
Base-Base interactions energy: -92.728
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.030
local terms energy: -58.303162
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -156.714326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.714326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.714326 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.219
local terms energy: -60.125477
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.592
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: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -90.434530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.434530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.434530 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.002
local terms energy: -48.679859
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -88.675932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.675932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.675932 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.128
local terms energy: -56.175192
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -70.211159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.211159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.211159 (E_RNA)
where:
Base-Base interactions energy: -22.813
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.140
local terms energy: -47.257662
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -73.515973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.515973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.515973 (E_RNA)
where:
Base-Base interactions energy: -22.016
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.252
local terms energy: -51.247432
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -5.758
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: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -71.879022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.879022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.879022 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -22.781
Base-Backbone interact. energy: -0.510
local terms energy: -43.769836
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -0.511
tors. eta vs tors. theta energy: -0.502
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: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -179.168813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.168813 (E_RNA)
where:
Base-Base interactions energy: -112.411
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.041
local terms energy: -66.716842
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -176.978750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.978750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.978750 (E_RNA)
where:
Base-Base interactions energy: -106.666
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.946
local terms energy: -69.367186
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -173.283686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.283686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.283686 (E_RNA)
where:
Base-Base interactions energy: -118.705
where: short stacking energy: -61.689
Base-Backbone interact. energy: 2.017
local terms energy: -56.596186
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -6.552
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: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -134.463443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.463443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.463443 (E_RNA)
where:
Base-Base interactions energy: -80.359
where: short stacking energy: -34.668
Base-Backbone interact. energy: -0.452
local terms energy: -53.652264
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -167.804284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.804284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.804284 (E_RNA)
where:
Base-Base interactions energy: -101.362
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.915
local terms energy: -65.527214
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -97.140549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.140549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.140549 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -28.288
Base-Backbone interact. energy: 1.997
local terms energy: -54.054288
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -82.082293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.082293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.082293 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -22.583
Base-Backbone interact. energy: -0.715
local terms energy: -49.075977
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -76.360991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360991 (E_RNA)
where:
Base-Base interactions energy: -25.569
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.075
local terms energy: -50.717123
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -91.093954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093954 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.430
local terms energy: -49.362968
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -8.102
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: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -80.604250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.604250 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.257
local terms energy: -48.868495
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -176.069165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.069165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.069165 (E_RNA)
where:
Base-Base interactions energy: -113.301
where: short stacking energy: -50.633
Base-Backbone interact. energy: -0.776
local terms energy: -61.991627
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -173.375656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.375656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.375656 (E_RNA)
where:
Base-Base interactions energy: -105.849
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.077
local terms energy: -67.449574
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -180.332864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.332864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.332864 (E_RNA)
where:
Base-Base interactions energy: -118.885
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.545
local terms energy: -60.902681
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -163.447322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.447322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.447322 (E_RNA)
where:
Base-Base interactions energy: -98.915
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.232
local terms energy: -64.301270
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -133.127394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.127394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.127394 (E_RNA)
where:
Base-Base interactions energy: -78.013
where: short stacking energy: -37.651
Base-Backbone interact. energy: 0.662
local terms energy: -55.776515
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -86.298172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298172 (E_RNA)
where:
Base-Base interactions energy: -39.008
where: short stacking energy: -24.934
Base-Backbone interact. energy: -0.072
local terms energy: -47.218371
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -78.618493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.618493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.618493 (E_RNA)
where:
Base-Base interactions energy: -28.296
where: short stacking energy: -27.536
Base-Backbone interact. energy: -0.025
local terms energy: -50.297153
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -11.248
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: 57
Temperature: 1.250000
Total energy: -92.047604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.047604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.047604 (E_RNA)
where:
Base-Base interactions energy: -51.491
where: short stacking energy: -21.395
Base-Backbone interact. energy: 1.403
local terms energy: -41.959300
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -65.200918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.200918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.200918 (E_RNA)
where:
Base-Base interactions energy: -13.452
where: short stacking energy: -13.452
Base-Backbone interact. energy: -0.136
local terms energy: -51.612608
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -11.173
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: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -70.335497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.335497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.335497 (E_RNA)
where:
Base-Base interactions energy: -23.091
where: short stacking energy: -23.391
Base-Backbone interact. energy: -0.907
local terms energy: -46.338286
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -179.070089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.070089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.070089 (E_RNA)
where:
Base-Base interactions energy: -115.432
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.992
local terms energy: -62.645837
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -14.796
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: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -178.958934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.958934 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.015
local terms energy: -66.073745
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -174.390747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390747 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -41.190
Base-Backbone interact. energy: -0.800
local terms energy: -60.569651
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -7.613
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -170.534145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.534145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.534145 (E_RNA)
where:
Base-Base interactions energy: -101.891
where: short stacking energy: -54.088
Base-Backbone interact. energy: -0.077
local terms energy: -68.565630
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -143.204490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.204490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.204490 (E_RNA)
where:
Base-Base interactions energy: -88.066
where: short stacking energy: -43.866
Base-Backbone interact. energy: -0.179
local terms energy: -54.960210
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -10.484
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: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -89.825057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.825057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.825057 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -33.208
Base-Backbone interact. energy: 1.038
local terms energy: -56.282133
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -7.470
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: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -88.026670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.026670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.026670 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.038
local terms energy: -45.668507
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -75.407722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.407722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.407722 (E_RNA)
where:
Base-Base interactions energy: -25.445
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.282
local terms energy: -49.681205
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -68.465916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.465916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.465916 (E_RNA)
where:
Base-Base interactions energy: -21.603
where: short stacking energy: -20.618
Base-Backbone interact. energy: 0.446
local terms energy: -47.308519
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -65.617029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.617029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.617029 (E_RNA)
where:
Base-Base interactions energy: -24.522
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.084
local terms energy: -41.011707
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -176.773724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.773724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.773724 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.165
local terms energy: -63.145755
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -16.100
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -170.035254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.035254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.035254 (E_RNA)
where:
Base-Base interactions energy: -109.750
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.016
local terms energy: -60.269039
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -164.362444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.362444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.362444 (E_RNA)
where:
Base-Base interactions energy: -98.593
where: short stacking energy: -45.838
Base-Backbone interact. energy: -0.015
local terms energy: -65.754494
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -13.785
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: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -174.481567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.481567 (E_RNA)
where:
Base-Base interactions energy: -101.299
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.061
local terms energy: -73.121980
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -18.438
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: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -137.580255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.580255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.580255 (E_RNA)
where:
Base-Base interactions energy: -87.055
where: short stacking energy: -39.273
Base-Backbone interact. energy: -0.102
local terms energy: -50.423913
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -105.565029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.565029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.565029 (E_RNA)
where:
Base-Base interactions energy: -51.693
where: short stacking energy: -25.017
Base-Backbone interact. energy: -1.022
local terms energy: -52.849990
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -84.338935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.338935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.338935 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.001
local terms energy: -52.404962
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -79.509325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.509325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.509325 (E_RNA)
where:
Base-Base interactions energy: -36.936
where: short stacking energy: -33.972
Base-Backbone interact. energy: -0.094
local terms energy: -42.479302
where:
bonds (distance) C4'-P energy: -6.923
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -78.586545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.586545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.586545 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -23.184
Base-Backbone interact. energy: -0.057
local terms energy: -40.246181
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -68.665031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.665031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.665031 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -23.135
Base-Backbone interact. energy: -0.211
local terms energy: -39.339093
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -176.190950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.190950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.190950 (E_RNA)
where:
Base-Base interactions energy: -110.927
where: short stacking energy: -50.039
Base-Backbone interact. energy: -0.018
local terms energy: -65.245852
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -175.574067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.574067 (E_RNA)
where:
Base-Base interactions energy: -117.493
where: short stacking energy: -41.030
Base-Backbone interact. energy: -1.329
local terms energy: -56.751965
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.328
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -173.427554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.427554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.427554 (E_RNA)
where:
Base-Base interactions energy: -108.055
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.506
local terms energy: -64.866070
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -6.607
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: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -163.857795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.857795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.857795 (E_RNA)
where:
Base-Base interactions energy: -105.473
where: short stacking energy: -50.535
Base-Backbone interact. energy: 0.090
local terms energy: -58.475342
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -7.748
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: 60
Temperature: 1.100000
Total energy: -143.936035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.936035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.936035 (E_RNA)
where:
Base-Base interactions energy: -80.733
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.114
local terms energy: -63.088086
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -92.555943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.555943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.555943 (E_RNA)
where:
Base-Base interactions energy: -48.651
where: short stacking energy: -41.971
Base-Backbone interact. energy: -0.883
local terms energy: -43.022354
where:
bonds (distance) C4'-P energy: -1.274
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.010
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: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -83.548038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.548038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.548038 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.210
local terms energy: -49.957711
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.300
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: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -67.712874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.712874 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -15.245
Base-Backbone interact. energy: -0.303
local terms energy: -37.549454
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: 5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -72.132415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.132415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.132415 (E_RNA)
where:
Base-Base interactions energy: -18.051
where: short stacking energy: -18.049
Base-Backbone interact. energy: 0.301
local terms energy: -54.382509
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -78.278663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.278663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.278663 (E_RNA)
where:
Base-Base interactions energy: -23.446
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.014
local terms energy: -54.817899
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -2.995
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: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -172.874842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.874842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.874842 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.861
local terms energy: -59.890974
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -177.804031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.804031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.804031 (E_RNA)
where:
Base-Base interactions energy: -115.514
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.648
local terms energy: -61.642102
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -171.628762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.628762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.628762 (E_RNA)
where:
Base-Base interactions energy: -105.928
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.591
local terms energy: -65.109659
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -162.050165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.050165 (E_RNA)
where:
Base-Base interactions energy: -103.881
where: short stacking energy: -45.081
Base-Backbone interact. energy: -0.153
local terms energy: -58.015666
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -138.405495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.405495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.405495 (E_RNA)
where:
Base-Base interactions energy: -80.991
where: short stacking energy: -36.040
Base-Backbone interact. energy: 0.002
local terms energy: -57.416433
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.632
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: 61
Temperature: 1.150000
Total energy: -131.036545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.036545 (E_RNA)
where:
Base-Base interactions energy: -83.878
where: short stacking energy: -36.064
Base-Backbone interact. energy: -0.186
local terms energy: -46.972633
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -82.938256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.938256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.938256 (E_RNA)
where:
Base-Base interactions energy: -34.004
where: short stacking energy: -28.366
Base-Backbone interact. energy: -0.102
local terms energy: -48.832550
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -77.597692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.597692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.597692 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -36.839
Base-Backbone interact. energy: 1.033
local terms energy: -41.795454
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -93.426396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.426396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.426396 (E_RNA)
where:
Base-Base interactions energy: -53.660
where: short stacking energy: -17.672
Base-Backbone interact. energy: -0.399
local terms energy: -39.367350
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -8.289
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.711
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: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -73.267841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.267841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.267841 (E_RNA)
where:
Base-Base interactions energy: -29.591
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.228
local terms energy: -43.449151
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -7.855
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: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -172.447322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.447322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.447322 (E_RNA)
where:
Base-Base interactions energy: -111.464
where: short stacking energy: -46.468
Base-Backbone interact. energy: -0.934
local terms energy: -60.049333
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -8.534
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: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -173.165751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.165751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.165751 (E_RNA)
where:
Base-Base interactions energy: -113.848
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.610
local terms energy: -58.707486
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -14.044
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: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -172.384793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.384793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.384793 (E_RNA)
where:
Base-Base interactions energy: -109.990
where: short stacking energy: -44.623
Base-Backbone interact. energy: -0.394
local terms energy: -62.000628
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -157.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.672102 (E_RNA)
where:
Base-Base interactions energy: -98.840
where: short stacking energy: -47.389
Base-Backbone interact. energy: -0.452
local terms energy: -58.380269
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -137.965327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.965327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.965327 (E_RNA)
where:
Base-Base interactions energy: -78.369
where: short stacking energy: -41.663
Base-Backbone interact. energy: -0.017
local terms energy: -59.580018
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.141
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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -130.507035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.507035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.507035 (E_RNA)
where:
Base-Base interactions energy: -78.589
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.044
local terms energy: -51.873905
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -3.779
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: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -97.324512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.324512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.324512 (E_RNA)
where:
Base-Base interactions energy: -52.062
where: short stacking energy: -34.116
Base-Backbone interact. energy: 0.408
local terms energy: -45.671061
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -70.936626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.936626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.936626 (E_RNA)
where:
Base-Base interactions energy: -20.217
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.193
local terms energy: -50.526096
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -88.683649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.683649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.683649 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.157
local terms energy: -53.457872
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -79.315332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.315332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.315332 (E_RNA)
where:
Base-Base interactions energy: -43.782
where: short stacking energy: -18.712
Base-Backbone interact. energy: 0.392
local terms energy: -35.924984
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -5.104
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: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -179.075975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.075975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075975 (E_RNA)
where:
Base-Base interactions energy: -112.539
where: short stacking energy: -57.473
Base-Backbone interact. energy: -0.015
local terms energy: -66.522512
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -170.682795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682795 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.283
local terms energy: -59.299320
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -170.478133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.478133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.478133 (E_RNA)
where:
Base-Base interactions energy: -112.961
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.175
local terms energy: -57.342895
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -144.912207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.912207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.912207 (E_RNA)
where:
Base-Base interactions energy: -77.891
where: short stacking energy: -46.098
Base-Backbone interact. energy: -0.259
local terms energy: -66.761998
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -12.601
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: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -163.078064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.078064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.078064 (E_RNA)
where:
Base-Base interactions energy: -99.972
where: short stacking energy: -40.694
Base-Backbone interact. energy: 0.739
local terms energy: -63.844781
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -151.277991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.277991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.277991 (E_RNA)
where:
Base-Base interactions energy: -97.846
where: short stacking energy: -55.825
Base-Backbone interact. energy: 3.568
local terms energy: -56.999680
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -89.645549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645549 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -35.528
Base-Backbone interact. energy: -0.087
local terms energy: -54.030736
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -7.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -80.188271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.188271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.188271 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.239
local terms energy: -44.900947
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: 2.206
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -73.894209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.894209 (E_RNA)
where:
Base-Base interactions energy: -27.953
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.205
local terms energy: -45.735850
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -69.893870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.893870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.893870 (E_RNA)
where:
Base-Base interactions energy: -26.675
where: short stacking energy: -26.537
Base-Backbone interact. energy: -0.225
local terms energy: -42.994236
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -177.604113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.604113 (E_RNA)
where:
Base-Base interactions energy: -110.220
where: short stacking energy: -54.687
Base-Backbone interact. energy: -1.249
local terms energy: -66.135034
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -171.419853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.419853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.419853 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.005
local terms energy: -62.975434
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -14.453
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: 64
Temperature: 1.000000
Total energy: -176.075331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.075331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.075331 (E_RNA)
where:
Base-Base interactions energy: -122.813
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.133
local terms energy: -53.129040
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -136.306995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.306995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.306995 (E_RNA)
where:
Base-Base interactions energy: -79.774
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.093
local terms energy: -56.440445
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -146.586692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.586692 (E_RNA)
where:
Base-Base interactions energy: -92.346
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.231
local terms energy: -54.009595
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -151.813292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.813292 (E_RNA)
where:
Base-Base interactions energy: -100.053
where: short stacking energy: -41.202
Base-Backbone interact. energy: -0.356
local terms energy: -51.403841
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -11.967
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: 64
Temperature: 1.200000
Total energy: -88.274442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274442 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.631
local terms energy: -45.798130
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -77.298571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.298571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.298571 (E_RNA)
where:
Base-Base interactions energy: -28.596
where: short stacking energy: -26.790
Base-Backbone interact. energy: -0.058
local terms energy: -48.645236
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -82.336158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336158 (E_RNA)
where:
Base-Base interactions energy: -38.217
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.169
local terms energy: -43.949654
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -72.455406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.455406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.455406 (E_RNA)
where:
Base-Base interactions energy: -24.483
where: short stacking energy: -18.702
Base-Backbone interact. energy: -0.121
local terms energy: -47.851542
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: 1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -195.773085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.773085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.773085 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -55.879
Base-Backbone interact. energy: -0.099
local terms energy: -70.748958
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.476
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -170.002119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.002119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.002119 (E_RNA)
where:
Base-Base interactions energy: -105.011
where: short stacking energy: -53.389
Base-Backbone interact. energy: 1.830
local terms energy: -66.821580
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -167.634035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.634035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.634035 (E_RNA)
where:
Base-Base interactions energy: -106.491
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.370
local terms energy: -60.772692
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -139.148760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.148760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.148760 (E_RNA)
where:
Base-Base interactions energy: -77.144
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.153
local terms energy: -61.851253
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -13.172
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: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -135.622153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.622153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.622153 (E_RNA)
where:
Base-Base interactions energy: -81.459
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.310
local terms energy: -53.853301
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -5.312
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: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -165.016802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.016802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.016802 (E_RNA)
where:
Base-Base interactions energy: -107.341
where: short stacking energy: -48.086
Base-Backbone interact. energy: -0.114
local terms energy: -57.561453
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -2.799
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: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -99.866835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.866835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.866835 (E_RNA)
where:
Base-Base interactions energy: -52.148
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.403
local terms energy: -47.315572
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -90.590543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590543 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -28.178
Base-Backbone interact. energy: -0.071
local terms energy: -45.313773
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -81.673637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.673637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.673637 (E_RNA)
where:
Base-Base interactions energy: -41.444
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.367
local terms energy: -39.862426
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -69.461480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.461480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.461480 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -19.115
Base-Backbone interact. energy: -0.364
local terms energy: -40.015514
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -3.240
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: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -184.263705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.263705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.263705 (E_RNA)
where:
Base-Base interactions energy: -112.234
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.035
local terms energy: -71.994677
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -173.955260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.955260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.955260 (E_RNA)
where:
Base-Base interactions energy: -111.849
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.103
local terms energy: -62.003851
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -15.606
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -151.436537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.436537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.436537 (E_RNA)
where:
Base-Base interactions energy: -89.129
where: short stacking energy: -42.494
Base-Backbone interact. energy: 4.193
local terms energy: -66.500630
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -163.983864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.983864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.983864 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -53.041
Base-Backbone interact. energy: 1.010
local terms energy: -51.116281
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -143.999654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.999654 (E_RNA)
where:
Base-Base interactions energy: -81.624
where: short stacking energy: -49.385
Base-Backbone interact. energy: 0.382
local terms energy: -62.757338
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -141.367150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.367150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.367150 (E_RNA)
where:
Base-Base interactions energy: -89.065
where: short stacking energy: -42.637
Base-Backbone interact. energy: 0.693
local terms energy: -52.995152
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -83.542633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542633 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.197
local terms energy: -49.008240
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -3.679
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: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -79.141542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141542 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.210
local terms energy: -48.344621
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -6.761
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: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -76.222355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.222355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.222355 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -18.276
Base-Backbone interact. energy: -0.431
local terms energy: -44.107492
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -61.243224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.243224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.243224 (E_RNA)
where:
Base-Base interactions energy: -19.257
where: short stacking energy: -19.250
Base-Backbone interact. energy: 0.976
local terms energy: -42.962140
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: 0.237
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: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -184.734301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.734301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.734301 (E_RNA)
where:
Base-Base interactions energy: -115.103
where: short stacking energy: -56.378
Base-Backbone interact. energy: -1.552
local terms energy: -68.079586
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -177.613404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.613404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.613404 (E_RNA)
where:
Base-Base interactions energy: -106.399
where: short stacking energy: -61.673
Base-Backbone interact. energy: -1.012
local terms energy: -70.202177
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.902
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: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -142.088604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.088604 (E_RNA)
where:
Base-Base interactions energy: -82.413
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.125
local terms energy: -59.550419
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -155.228935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.228935 (E_RNA)
where:
Base-Base interactions energy: -89.087
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.160
local terms energy: -65.981479
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -167.164905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.164905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.164905 (E_RNA)
where:
Base-Base interactions energy: -104.965
where: short stacking energy: -46.075
Base-Backbone interact. energy: -0.120
local terms energy: -62.080117
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.765
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -132.821365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.821365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.821365 (E_RNA)
where:
Base-Base interactions energy: -80.399
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.122
local terms energy: -52.299936
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -10.252
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: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -93.618780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.618780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.618780 (E_RNA)
where:
Base-Base interactions energy: -42.461
where: short stacking energy: -25.363
Base-Backbone interact. energy: 0.567
local terms energy: -51.724922
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.573
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -94.306594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306594 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -22.545
Base-Backbone interact. energy: -0.883
local terms energy: -42.172728
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -90.209660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.209660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.209660 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -13.864
Base-Backbone interact. energy: 0.390
local terms energy: -51.343509
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -69.236264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.236264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.236264 (E_RNA)
where:
Base-Base interactions energy: -22.896
where: short stacking energy: -22.896
Base-Backbone interact. energy: -0.354
local terms energy: -45.985707
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -181.205400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.205400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.205400 (E_RNA)
where:
Base-Base interactions energy: -109.054
where: short stacking energy: -57.483
Base-Backbone interact. energy: 1.010
local terms energy: -73.161964
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -174.581759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.581759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.581759 (E_RNA)
where:
Base-Base interactions energy: -110.410
where: short stacking energy: -58.533
Base-Backbone interact. energy: 0.403
local terms energy: -64.574221
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -9.035
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: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -148.793250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.793250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.793250 (E_RNA)
where:
Base-Base interactions energy: -82.509
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.311
local terms energy: -65.972518
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -147.189612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.189612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.189612 (E_RNA)
where:
Base-Base interactions energy: -83.441
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.093
local terms energy: -63.655559
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -163.675851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.675851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.675851 (E_RNA)
where:
Base-Base interactions energy: -105.453
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.356
local terms energy: -57.866795
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -160.473953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.473953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.473953 (E_RNA)
where:
Base-Base interactions energy: -100.589
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.087
local terms energy: -59.798166
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -85.657341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.657341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.657341 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.002
local terms energy: -51.814103
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -9.958
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -76.932323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.932323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.932323 (E_RNA)
where:
Base-Base interactions energy: -29.370
where: short stacking energy: -27.318
Base-Backbone interact. energy: -0.202
local terms energy: -47.360143
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -69.779651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.779651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.779651 (E_RNA)
where:
Base-Base interactions energy: -21.998
where: short stacking energy: -21.998
Base-Backbone interact. energy: -0.514
local terms energy: -47.268328
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -80.361144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.361144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.361144 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -20.722
Base-Backbone interact. energy: 0.051
local terms energy: -49.738851
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -184.508059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.508059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.508059 (E_RNA)
where:
Base-Base interactions energy: -116.288
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.054
local terms energy: -68.165770
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -181.579289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.579289 (E_RNA)
where:
Base-Base interactions energy: -114.136
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.428
local terms energy: -67.015000
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -16.938
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: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -148.658161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.658161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.658161 (E_RNA)
where:
Base-Base interactions energy: -85.431
where: short stacking energy: -50.493
Base-Backbone interact. energy: 2.514
local terms energy: -65.740738
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -13.089
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: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -156.347209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.347209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.347209 (E_RNA)
where:
Base-Base interactions energy: -97.785
where: short stacking energy: -42.741
Base-Backbone interact. energy: -1.066
local terms energy: -57.495539
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -10.637
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -145.711462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.711462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.711462 (E_RNA)
where:
Base-Base interactions energy: -93.480
where: short stacking energy: -43.882
Base-Backbone interact. energy: 0.052
local terms energy: -52.283340
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -156.709848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.709848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.709848 (E_RNA)
where:
Base-Base interactions energy: -96.670
where: short stacking energy: -49.252
Base-Backbone interact. energy: -0.078
local terms energy: -59.962267
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -13.565
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -85.376295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376295 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -34.199
Base-Backbone interact. energy: -0.035
local terms energy: -51.142383
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -6.824
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: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -67.841929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.841929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.841929 (E_RNA)
where:
Base-Base interactions energy: -24.687
where: short stacking energy: -23.181
Base-Backbone interact. energy: -0.108
local terms energy: -43.046858
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -5.624
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: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -76.580552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.580552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.580552 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.085
local terms energy: -46.610117
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -3.454
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: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -77.083864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.083864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.083864 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -21.960
Base-Backbone interact. energy: -0.874
local terms energy: -44.235672
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: 1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -187.351193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.351193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.351193 (E_RNA)
where:
Base-Base interactions energy: -114.677
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.513
local terms energy: -72.161537
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.927
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: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -185.302184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302184 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.164
local terms energy: -68.543645
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -171.329978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.329978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.329978 (E_RNA)
where:
Base-Base interactions energy: -106.942
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.445
local terms energy: -63.943015
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -147.796092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.796092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.796092 (E_RNA)
where:
Base-Base interactions energy: -81.759
where: short stacking energy: -47.308
Base-Backbone interact. energy: -0.641
local terms energy: -65.396181
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -148.220261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.220261 (E_RNA)
where:
Base-Base interactions energy: -89.943
where: short stacking energy: -44.639
Base-Backbone interact. energy: -1.187
local terms energy: -57.089991
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -11.312
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: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -128.599080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.599080 (E_RNA)
where:
Base-Base interactions energy: -72.779
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.015
local terms energy: -55.805495
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -7.665
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: 70
Temperature: 1.200000
Total energy: -88.157284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.157284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.157284 (E_RNA)
where:
Base-Base interactions energy: -34.342
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.013
local terms energy: -53.802253
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -69.720880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.720880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.720880 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.801
Base-Backbone interact. energy: -0.213
local terms energy: -44.707033
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -81.642252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.642252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.642252 (E_RNA)
where:
Base-Base interactions energy: -38.656
where: short stacking energy: -20.200
Base-Backbone interact. energy: -0.354
local terms energy: -42.632148
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.938
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: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -60.151618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.151618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.151618 (E_RNA)
where:
Base-Base interactions energy: -18.610
where: short stacking energy: -18.610
Base-Backbone interact. energy: -0.122
local terms energy: -41.419317
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: 1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -183.511533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.511533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.511533 (E_RNA)
where:
Base-Base interactions energy: -109.010
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.645
local terms energy: -73.857355
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -175.587335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.587335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.587335 (E_RNA)
where:
Base-Base interactions energy: -113.408
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.599
local terms energy: -61.580260
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -160.466154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.466154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.466154 (E_RNA)
where:
Base-Base interactions energy: -97.520
where: short stacking energy: -55.036
Base-Backbone interact. energy: -0.114
local terms energy: -62.832201
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -163.879604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.879604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.879604 (E_RNA)
where:
Base-Base interactions energy: -100.441
where: short stacking energy: -48.168
Base-Backbone interact. energy: -0.082
local terms energy: -63.356719
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -9.764
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: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -136.612371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.612371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.612371 (E_RNA)
where:
Base-Base interactions energy: -75.357
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.101
local terms energy: -61.155094
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.034
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: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -117.870734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.870734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.870734 (E_RNA)
where:
Base-Base interactions energy: -66.098
where: short stacking energy: -32.194
Base-Backbone interact. energy: -0.486
local terms energy: -51.286501
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -8.339
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: 71
Temperature: 1.200000
Total energy: -83.262689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.262689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.262689 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.010
local terms energy: -51.213952
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.154058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.154058 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.506
local terms energy: -42.901198
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -85.697227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.697227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.697227 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -22.449
Base-Backbone interact. energy: -1.071
local terms energy: -41.124553
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -7.621
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: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -75.619601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.619601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.619601 (E_RNA)
where:
Base-Base interactions energy: -20.474
where: short stacking energy: -20.474
Base-Backbone interact. energy: -0.019
local terms energy: -55.126788
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -5.586
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: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -178.756953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.756953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.756953 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.191
local terms energy: -52.537011
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -174.909619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.909619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.909619 (E_RNA)
where:
Base-Base interactions energy: -103.076
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.169
local terms energy: -71.663905
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -164.759928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.759928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.759928 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.023
local terms energy: -56.722589
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -160.327326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.327326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.327326 (E_RNA)
where:
Base-Base interactions energy: -105.317
where: short stacking energy: -50.407
Base-Backbone interact. energy: -0.610
local terms energy: -54.400967
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -136.409383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.409383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.409383 (E_RNA)
where:
Base-Base interactions energy: -87.617
where: short stacking energy: -47.588
Base-Backbone interact. energy: -0.160
local terms energy: -48.632554
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -86.904201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.904201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.904201 (E_RNA)
where:
Base-Base interactions energy: -40.217
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.178
local terms energy: -46.509235
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -75.117804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.117804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.117804 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -15.687
Base-Backbone interact. energy: -0.168
local terms energy: -42.139766
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -83.803377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803377 (E_RNA)
where:
Base-Base interactions energy: -29.308
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.129
local terms energy: -54.366889
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -67.943148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.943148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.943148 (E_RNA)
where:
Base-Base interactions energy: -21.827
where: short stacking energy: -16.717
Base-Backbone interact. energy: -0.098
local terms energy: -46.018353
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.197
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: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -69.034190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.034190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.034190 (E_RNA)
where:
Base-Base interactions energy: -22.291
where: short stacking energy: -18.750
Base-Backbone interact. energy: -0.117
local terms energy: -46.625892
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -185.504732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.504732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.504732 (E_RNA)
where:
Base-Base interactions energy: -125.078
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.395
local terms energy: -60.031656
where:
bonds (distance) C4'-P energy: -6.627
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -171.053024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.053024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.053024 (E_RNA)
where:
Base-Base interactions energy: -110.434
where: short stacking energy: -53.150
Base-Backbone interact. energy: -1.023
local terms energy: -59.596221
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -8.145
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -13.565
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -170.438750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.438750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.438750 (E_RNA)
where:
Base-Base interactions energy: -111.745
where: short stacking energy: -54.746
Base-Backbone interact. energy: -1.001
local terms energy: -57.693014
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -167.644976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.644976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.644976 (E_RNA)
where:
Base-Base interactions energy: -104.140
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.293
local terms energy: -63.211346
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -131.037567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.037567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.037567 (E_RNA)
where:
Base-Base interactions energy: -76.134
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.097
local terms energy: -54.806856
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -11.052
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: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -103.735748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735748 (E_RNA)
where:
Base-Base interactions energy: -44.089
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.049
local terms energy: -59.597818
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -99.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.772810 (E_RNA)
where:
Base-Base interactions energy: -52.755
where: short stacking energy: -22.616
Base-Backbone interact. energy: 0.562
local terms energy: -47.579214
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -85.776263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.776263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.776263 (E_RNA)
where:
Base-Base interactions energy: -30.415
where: short stacking energy: -25.959
Base-Backbone interact. energy: -0.147
local terms energy: -55.214218
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -11.993
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: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -82.004411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.004411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.004411 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -28.979
Base-Backbone interact. energy: -0.549
local terms energy: -43.306392
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -72.339313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.339313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.339313 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -17.456
Base-Backbone interact. energy: -0.046
local terms energy: -38.410893
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: 2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -188.037396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.037396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.037396 (E_RNA)
where:
Base-Base interactions energy: -118.094
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.814
local terms energy: -69.128652
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.524
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: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -177.342874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.342874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.342874 (E_RNA)
where:
Base-Base interactions energy: -120.591
where: short stacking energy: -48.095
Base-Backbone interact. energy: -0.117
local terms energy: -56.634926
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -171.461787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.461787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.461787 (E_RNA)
where:
Base-Base interactions energy: -114.804
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.925
local terms energy: -55.732361
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -167.881987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.881987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.881987 (E_RNA)
where:
Base-Base interactions energy: -106.714
where: short stacking energy: -49.437
Base-Backbone interact. energy: -0.097
local terms energy: -61.071048
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.904
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: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -136.843792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.843792 (E_RNA)
where:
Base-Base interactions energy: -82.756
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.240
local terms energy: -53.848015
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.005
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -90.823567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823567 (E_RNA)
where:
Base-Base interactions energy: -41.809
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.362
local terms energy: -48.652694
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.679
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: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -87.382131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382131 (E_RNA)
where:
Base-Base interactions energy: -37.899
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.163
local terms energy: -49.320298
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -8.889
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: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -86.248844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248844 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.009
local terms energy: -45.006516
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -69.670659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.670659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.670659 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -19.631
Base-Backbone interact. energy: 2.042
local terms energy: -41.646581
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -68.425518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.425518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.425518 (E_RNA)
where:
Base-Base interactions energy: -19.761
where: short stacking energy: -19.761
Base-Backbone interact. energy: -0.161
local terms energy: -48.503444
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -179.170080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.170080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.170080 (E_RNA)
where:
Base-Base interactions energy: -123.530
where: short stacking energy: -47.869
Base-Backbone interact. energy: -1.758
local terms energy: -53.881720
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.429
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -176.795790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.795790 (E_RNA)
where:
Base-Base interactions energy: -117.262
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.962
local terms energy: -58.571499
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -164.141936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.141936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.141936 (E_RNA)
where:
Base-Base interactions energy: -98.665
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.365
local terms energy: -65.112115
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -142.984707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.984707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.984707 (E_RNA)
where:
Base-Base interactions energy: -86.327
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.024
local terms energy: -56.633123
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -10.303
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -165.996998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.996998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.996998 (E_RNA)
where:
Base-Base interactions energy: -104.546
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.354
local terms energy: -61.097121
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -12.930
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: 75
Temperature: 1.150000
Total energy: -102.844984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.844984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.844984 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -33.574
Base-Backbone interact. energy: -0.109
local terms energy: -50.054154
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -3.754
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -76.624325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.624325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.624325 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -14.044
Base-Backbone interact. energy: -0.104
local terms energy: -44.835798
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -85.495943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.495943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.495943 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.080
local terms energy: -54.486932
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.534034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.534034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.534034 (E_RNA)
where:
Base-Base interactions energy: -28.628
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.115
local terms energy: -50.791047
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -68.129113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.129113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.129113 (E_RNA)
where:
Base-Base interactions energy: -20.324
where: short stacking energy: -20.324
Base-Backbone interact. energy: -0.109
local terms energy: -47.695880
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -173.120228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.120228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.120228 (E_RNA)
where:
Base-Base interactions energy: -110.505
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.094
local terms energy: -62.520681
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -176.122260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.122260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122260 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -55.930
Base-Backbone interact. energy: -0.012
local terms energy: -66.144450
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -173.789561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.789561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.789561 (E_RNA)
where:
Base-Base interactions energy: -106.918
where: short stacking energy: -50.663
Base-Backbone interact. energy: -1.971
local terms energy: -64.900141
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -138.897918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.897918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.897918 (E_RNA)
where:
Base-Base interactions energy: -86.643
where: short stacking energy: -41.811
Base-Backbone interact. energy: -0.566
local terms energy: -51.688394
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -163.012502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.012502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.012502 (E_RNA)
where:
Base-Base interactions energy: -101.008
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.087
local terms energy: -61.917924
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -7.893
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: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -88.059936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.059936 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.103
local terms energy: -54.991451
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -6.950
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: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -92.881755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.881755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.881755 (E_RNA)
where:
Base-Base interactions energy: -45.973
where: short stacking energy: -34.104
Base-Backbone interact. energy: -0.024
local terms energy: -46.884364
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -78.316403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.316403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.316403 (E_RNA)
where:
Base-Base interactions energy: -22.646
where: short stacking energy: -20.731
Base-Backbone interact. energy: -0.139
local terms energy: -55.531361
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -85.596383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596383 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.134
local terms energy: -50.143956
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -9.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -66.637748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.637748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.637748 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.266
local terms energy: -32.523323
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -1.978
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -189.684508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.684508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.684508 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.273
local terms energy: -59.132363
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -184.078626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.078626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.078626 (E_RNA)
where:
Base-Base interactions energy: -113.656
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.046
local terms energy: -70.377544
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -169.655724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.655724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.655724 (E_RNA)
where:
Base-Base interactions energy: -104.963
where: short stacking energy: -47.225
Base-Backbone interact. energy: -0.312
local terms energy: -64.381301
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -171.161263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.161263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.161263 (E_RNA)
where:
Base-Base interactions energy: -110.334
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.274
local terms energy: -60.552806
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -132.612194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.612194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.612194 (E_RNA)
where:
Base-Base interactions energy: -73.788
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.884
local terms energy: -57.939260
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -102.773195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.773195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.773195 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.017
local terms energy: -59.746000
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -100.755028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.755028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.755028 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -27.498
Base-Backbone interact. energy: -0.536
local terms energy: -52.523437
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -69.293526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.293526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.293526 (E_RNA)
where:
Base-Base interactions energy: -26.150
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.070
local terms energy: -43.073076
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.249
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: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -73.481259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.481259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.481259 (E_RNA)
where:
Base-Base interactions energy: -25.124
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.061
local terms energy: -48.295347
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: 0.492
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -75.298319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298319 (E_RNA)
where:
Base-Base interactions energy: -28.022
where: short stacking energy: -26.531
Base-Backbone interact. energy: -0.440
local terms energy: -46.835932
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -7.865
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -182.605938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.605938 (E_RNA)
where:
Base-Base interactions energy: -112.771
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.648
local terms energy: -69.186544
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.680
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: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -174.896717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.896717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.896717 (E_RNA)
where:
Base-Base interactions energy: -112.501
where: short stacking energy: -51.957
Base-Backbone interact. energy: -0.552
local terms energy: -61.843682
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -181.499213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.499213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.499213 (E_RNA)
where:
Base-Base interactions energy: -120.821
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.757
local terms energy: -59.921491
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.509
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: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -171.295612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.295612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.295612 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.238
local terms energy: -54.327087
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -9.204
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -149.344029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.344029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.344029 (E_RNA)
where:
Base-Base interactions energy: -91.987
where: short stacking energy: -46.961
Base-Backbone interact. energy: -1.442
local terms energy: -55.915039
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -12.005
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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -91.344358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.344358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.344358 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -23.626
Base-Backbone interact. energy: -0.512
local terms energy: -45.947453
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -79.319869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.319869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.319869 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -24.182
Base-Backbone interact. energy: -0.134
local terms energy: -39.166889
where:
bonds (distance) C4'-P energy: -4.598
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -82.519739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.519739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.519739 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.122
local terms energy: -49.688728
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -67.181575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.181575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.181575 (E_RNA)
where:
Base-Base interactions energy: -18.605
where: short stacking energy: -18.850
Base-Backbone interact. energy: 0.533
local terms energy: -49.109416
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -7.574
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: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.099053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.099053 (E_RNA)
where:
Base-Base interactions energy: -28.269
where: short stacking energy: -28.269
Base-Backbone interact. energy: -0.077
local terms energy: -49.752958
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -176.033301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.033301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.033301 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -47.681
Base-Backbone interact. energy: -0.559
local terms energy: -69.964877
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -176.824932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.824932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.824932 (E_RNA)
where:
Base-Base interactions energy: -115.243
where: short stacking energy: -50.795
Base-Backbone interact. energy: -1.036
local terms energy: -60.546665
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -173.868203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.868203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.868203 (E_RNA)
where:
Base-Base interactions energy: -115.188
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.387
local terms energy: -58.293201
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -13.391
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -168.709890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.709890 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.998
local terms energy: -53.708688
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -138.405591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.405591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.405591 (E_RNA)
where:
Base-Base interactions energy: -79.147
where: short stacking energy: -44.903
Base-Backbone interact. energy: -1.248
local terms energy: -58.010983
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -91.171513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171513 (E_RNA)
where:
Base-Base interactions energy: -33.463
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.098
local terms energy: -57.610760
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -88.110615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110615 (E_RNA)
where:
Base-Base interactions energy: -43.747
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.179
local terms energy: -44.185364
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -73.709442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.709442 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -23.831
Base-Backbone interact. energy: -0.186
local terms energy: -43.767681
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -2.261
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -71.406529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.406529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.406529 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -26.657
Base-Backbone interact. energy: -1.088
local terms energy: -40.997283
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.415541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.415541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.415541 (E_RNA)
where:
Base-Base interactions energy: -22.151
where: short stacking energy: -18.883
Base-Backbone interact. energy: -0.369
local terms energy: -53.895848
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -8.871
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: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -178.917060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.917060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.917060 (E_RNA)
where:
Base-Base interactions energy: -113.791
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.401
local terms energy: -64.724657
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -185.861489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.861489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.861489 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.196
local terms energy: -68.330040
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -165.733909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.733909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.733909 (E_RNA)
where:
Base-Base interactions energy: -105.588
where: short stacking energy: -48.255
Base-Backbone interact. energy: -0.189
local terms energy: -59.956676
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -10.320
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: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -150.856688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.856688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.856688 (E_RNA)
where:
Base-Base interactions energy: -91.570
where: short stacking energy: -49.567
Base-Backbone interact. energy: 1.137
local terms energy: -60.423487
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -11.008
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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -126.505973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.505973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.505973 (E_RNA)
where:
Base-Base interactions energy: -73.513
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.108
local terms energy: -52.884783
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -83.719019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.719019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.719019 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.109
local terms energy: -46.734040
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -100.232117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.232117 (E_RNA)
where:
Base-Base interactions energy: -54.515
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.121
local terms energy: -45.596301
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -98.862229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.862229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.862229 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.149
local terms energy: -47.598018
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.178971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.178971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.178971 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.059
local terms energy: -45.660652
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -71.454451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.454451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.454451 (E_RNA)
where:
Base-Base interactions energy: -24.431
where: short stacking energy: -23.238
Base-Backbone interact. energy: -0.072
local terms energy: -46.950645
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -5.270
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -181.491837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.491837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.491837 (E_RNA)
where:
Base-Base interactions energy: -115.264
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.356
local terms energy: -65.872459
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -192.368718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.368718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.368718 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.003
local terms energy: -72.862814
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -162.918751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.918751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.918751 (E_RNA)
where:
Base-Base interactions energy: -104.870
where: short stacking energy: -42.657
Base-Backbone interact. energy: -0.076
local terms energy: -57.972417
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.286
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -137.630778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.630778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.630778 (E_RNA)
where:
Base-Base interactions energy: -85.478
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.483
local terms energy: -51.669965
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -167.425665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.425665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.425665 (E_RNA)
where:
Base-Base interactions energy: -108.286
where: short stacking energy: -54.140
Base-Backbone interact. energy: -0.001
local terms energy: -59.138519
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -13.643
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: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -92.813964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.813964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.813964 (E_RNA)
where:
Base-Base interactions energy: -45.057
where: short stacking energy: -34.482
Base-Backbone interact. energy: -0.162
local terms energy: -47.594901
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -104.998142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.998142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.998142 (E_RNA)
where:
Base-Base interactions energy: -56.741
where: short stacking energy: -27.939
Base-Backbone interact. energy: 0.104
local terms energy: -48.360942
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -2.769
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: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -87.697910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.697910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.697910 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -38.343
Base-Backbone interact. energy: -0.018
local terms energy: -49.337545
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -83.381974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.381974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.381974 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -29.204
Base-Backbone interact. energy: 0.438
local terms energy: -44.346609
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -77.527405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527405 (E_RNA)
where:
Base-Base interactions energy: -38.261
where: short stacking energy: -26.162
Base-Backbone interact. energy: -0.675
local terms energy: -38.592138
where:
bonds (distance) C4'-P energy: -6.757
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -2.467
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: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -192.930610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930610 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.750
local terms energy: -66.682675
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -176.308613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.308613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.308613 (E_RNA)
where:
Base-Base interactions energy: -119.241
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.787
local terms energy: -56.280526
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -11.557
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -167.864014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.864014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864014 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -45.065
Base-Backbone interact. energy: -0.389
local terms energy: -65.688558
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -13.320
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: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -138.442830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.442830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.442830 (E_RNA)
where:
Base-Base interactions energy: -82.217
where: short stacking energy: -48.731
Base-Backbone interact. energy: -0.123
local terms energy: -56.102687
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -155.613559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.613559 (E_RNA)
where:
Base-Base interactions energy: -96.523
where: short stacking energy: -51.840
Base-Backbone interact. energy: -0.095
local terms energy: -58.995799
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -8.859
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -100.584176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.584176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.584176 (E_RNA)
where:
Base-Base interactions energy: -61.714
where: short stacking energy: -33.522
Base-Backbone interact. energy: 0.139
local terms energy: -39.009483
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -112.832957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.832957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.832957 (E_RNA)
where:
Base-Base interactions energy: -61.025
where: short stacking energy: -40.371
Base-Backbone interact. energy: 1.002
local terms energy: -52.810132
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -2.937
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: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -96.978410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.978410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.978410 (E_RNA)
where:
Base-Base interactions energy: -46.532
where: short stacking energy: -23.173
Base-Backbone interact. energy: -0.884
local terms energy: -49.562419
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -74.648775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.648775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.648775 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -17.549
Base-Backbone interact. energy: -1.062
local terms energy: -41.905983
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -72.189461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.189461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.189461 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -28.140
Base-Backbone interact. energy: -0.095
local terms energy: -43.954016
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -195.760523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.760523 (E_RNA)
where:
Base-Base interactions energy: -131.846
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.736
local terms energy: -63.178134
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -169.996400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.996400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.996400 (E_RNA)
where:
Base-Base interactions energy: -102.424
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.288
local terms energy: -67.284335
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -180.928121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.928121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.928121 (E_RNA)
where:
Base-Base interactions energy: -122.672
where: short stacking energy: -51.163
Base-Backbone interact. energy: 2.758
local terms energy: -61.014058
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -7.759
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -165.124520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.124520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.124520 (E_RNA)
where:
Base-Base interactions energy: -100.270
where: short stacking energy: -50.673
Base-Backbone interact. energy: -0.490
local terms energy: -64.364545
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -14.278
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: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -138.255197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.255197 (E_RNA)
where:
Base-Base interactions energy: -84.577
where: short stacking energy: -42.696
Base-Backbone interact. energy: -0.403
local terms energy: -53.274837
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -8.402
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -9.917
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: 83
Temperature: 1.150000
Total energy: -95.221354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.221354 (E_RNA)
where:
Base-Base interactions energy: -43.055
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.057
local terms energy: -52.109174
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.219
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: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -79.303595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.303595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.303595 (E_RNA)
where:
Base-Base interactions energy: -28.389
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.091
local terms energy: -50.823256
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.780
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: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -100.639640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.639640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.639640 (E_RNA)
where:
Base-Base interactions energy: -49.075
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.147
local terms energy: -51.417635
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -64.479579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.479579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.479579 (E_RNA)
where:
Base-Base interactions energy: -22.738
where: short stacking energy: -20.249
Base-Backbone interact. energy: -0.237
local terms energy: -41.504901
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -0.515
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -2.571
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: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -71.609219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.609219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.609219 (E_RNA)
where:
Base-Base interactions energy: -27.882
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.134
local terms energy: -43.593469
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -188.564429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.564429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.564429 (E_RNA)
where:
Base-Base interactions energy: -123.761
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.088
local terms energy: -64.714787
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -15.821
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: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -168.852637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852637 (E_RNA)
where:
Base-Base interactions energy: -104.010
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.008
local terms energy: -64.834545
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -5.827
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: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -174.300820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.300820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.300820 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -60.201
Base-Backbone interact. energy: 0.938
local terms energy: -60.465743
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -168.570018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.570018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.570018 (E_RNA)
where:
Base-Base interactions energy: -99.469
where: short stacking energy: -50.973
Base-Backbone interact. energy: -0.760
local terms energy: -68.340640
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -126.955452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.955452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.955452 (E_RNA)
where:
Base-Base interactions energy: -69.805
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.077
local terms energy: -57.072975
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -142.001531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.001531 (E_RNA)
where:
Base-Base interactions energy: -89.443
where: short stacking energy: -40.439
Base-Backbone interact. energy: -0.317
local terms energy: -52.241175
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -93.869893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.869893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.869893 (E_RNA)
where:
Base-Base interactions energy: -51.620
where: short stacking energy: -30.954
Base-Backbone interact. energy: -0.338
local terms energy: -41.911986
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -1.835
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -75.870186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.870186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.870186 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.189
local terms energy: -47.161037
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -7.543
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: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -80.052400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.052400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.052400 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -30.079
Base-Backbone interact. energy: 0.036
local terms energy: -50.009054
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -70.455842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.455842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.455842 (E_RNA)
where:
Base-Base interactions energy: -20.646
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.403
local terms energy: -49.406687
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -194.691937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.691937 (E_RNA)
where:
Base-Base interactions energy: -132.511
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.492
local terms energy: -61.688287
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -12.169
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -172.097482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.097482 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -58.230
Base-Backbone interact. energy: 1.263
local terms energy: -63.803187
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -12.253
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: 85
Temperature: 1.000000
Total energy: -162.012395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.012395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.012395 (E_RNA)
where:
Base-Base interactions energy: -101.605
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.630
local terms energy: -59.776948
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -169.074210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.074210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.074210 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -61.814
Base-Backbone interact. energy: 0.873
local terms energy: -54.088436
where:
bonds (distance) C4'-P energy: -7.397
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -107.356289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.356289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.356289 (E_RNA)
where:
Base-Base interactions energy: -46.925
where: short stacking energy: -45.438
Base-Backbone interact. energy: -0.006
local terms energy: -60.425598
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -10.195
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: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -116.508155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.508155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.508155 (E_RNA)
where:
Base-Base interactions energy: -68.525
where: short stacking energy: -35.606
Base-Backbone interact. energy: 0.286
local terms energy: -48.269710
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -90.539533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539533 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.030
local terms energy: -49.445588
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -76.770058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.770058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.770058 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.326
local terms energy: -39.319853
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -4.576
flat angles P-C4'-P energy: -7.730
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: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -69.003070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.003070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.003070 (E_RNA)
where:
Base-Base interactions energy: -20.555
where: short stacking energy: -16.756
Base-Backbone interact. energy: -0.572
local terms energy: -47.876577
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: 1.752
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: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -63.468507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.468507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.468507 (E_RNA)
where:
Base-Base interactions energy: -16.793
where: short stacking energy: -13.943
Base-Backbone interact. energy: -1.291
local terms energy: -45.384088
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -190.537581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.537581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.537581 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.095
local terms energy: -68.303965
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -179.466406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.466406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.466406 (E_RNA)
where:
Base-Base interactions energy: -118.829
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.064
local terms energy: -60.573993
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -170.885853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.885853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.885853 (E_RNA)
where:
Base-Base interactions energy: -101.969
where: short stacking energy: -46.776
Base-Backbone interact. energy: -0.770
local terms energy: -68.146682
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -166.941818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.941818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.941818 (E_RNA)
where:
Base-Base interactions energy: -111.919
where: short stacking energy: -54.554
Base-Backbone interact. energy: -0.111
local terms energy: -54.911306
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -94.023714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.023714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.023714 (E_RNA)
where:
Base-Base interactions energy: -45.455
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.752
local terms energy: -47.816221
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -110.497495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.497495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.497495 (E_RNA)
where:
Base-Base interactions energy: -58.018
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.071
local terms energy: -52.408945
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -84.993876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.993876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.993876 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: 0.384
local terms energy: -55.029406
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -103.591103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.591103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.591103 (E_RNA)
where:
Base-Base interactions energy: -53.051
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.456
local terms energy: -50.084168
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -6.572
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: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -73.243075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.243075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.243075 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -14.308
Base-Backbone interact. energy: 0.343
local terms energy: -43.114333
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: 3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -67.894538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.894538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.894538 (E_RNA)
where:
Base-Base interactions energy: -21.111
where: short stacking energy: -17.248
Base-Backbone interact. energy: -0.105
local terms energy: -46.678829
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -179.534435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.534435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.534435 (E_RNA)
where:
Base-Base interactions energy: -112.195
where: short stacking energy: -62.529
Base-Backbone interact. energy: 0.256
local terms energy: -67.595939
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -184.985511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.985511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.985511 (E_RNA)
where:
Base-Base interactions energy: -116.166
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.047
local terms energy: -68.772127
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -170.628361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.628361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.628361 (E_RNA)
where:
Base-Base interactions energy: -104.370
where: short stacking energy: -50.314
Base-Backbone interact. energy: -1.157
local terms energy: -65.100987
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -160.613053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.613053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.613053 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.021
local terms energy: -54.746662
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -11.307
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: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -92.604416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.604416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.604416 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -22.746
Base-Backbone interact. energy: -0.413
local terms energy: -53.518962
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -86.453061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453061 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -32.892
Base-Backbone interact. energy: 0.045
local terms energy: -50.508940
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -97.037023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.037023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.037023 (E_RNA)
where:
Base-Base interactions energy: -50.155
where: short stacking energy: -33.090
Base-Backbone interact. energy: 1.087
local terms energy: -47.968882
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -7.255
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: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -80.951803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951803 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.046
local terms energy: -47.182976
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -8.479
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: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -78.899233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.899233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.899233 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -21.854
Base-Backbone interact. energy: -0.019
local terms energy: -41.400290
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -0.984
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: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -63.350571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.350571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.350571 (E_RNA)
where:
Base-Base interactions energy: -16.710
where: short stacking energy: -16.710
Base-Backbone interact. energy: -0.001
local terms energy: -46.639571
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: 1.212
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: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -185.531385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.531385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.531385 (E_RNA)
where:
Base-Base interactions energy: -112.740
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.512
local terms energy: -72.279054
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -161.827076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.827076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.827076 (E_RNA)
where:
Base-Base interactions energy: -99.143
where: short stacking energy: -51.575
Base-Backbone interact. energy: -0.104
local terms energy: -62.579922
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -166.398867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.398867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.398867 (E_RNA)
where:
Base-Base interactions energy: -111.961
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.155
local terms energy: -54.283543
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -161.967467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.967467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.967467 (E_RNA)
where:
Base-Base interactions energy: -94.272
where: short stacking energy: -50.451
Base-Backbone interact. energy: -2.188
local terms energy: -65.507029
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -92.721786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.721786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.721786 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.003
local terms energy: -53.398197
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -11.986
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -85.043993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043993 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.052
local terms energy: -47.298559
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -84.682617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.682617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.682617 (E_RNA)
where:
Base-Base interactions energy: -35.296
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.219
local terms energy: -49.167870
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -71.069388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.069388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.069388 (E_RNA)
where:
Base-Base interactions energy: -29.919
where: short stacking energy: -16.441
Base-Backbone interact. energy: -0.324
local terms energy: -40.826575
where:
bonds (distance) C4'-P energy: -6.587
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -77.211271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.211271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.211271 (E_RNA)
where:
Base-Base interactions energy: -26.488
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.304
local terms energy: -50.419961
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -77.112345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.112345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.112345 (E_RNA)
where:
Base-Base interactions energy: -41.846
where: short stacking energy: -21.019
Base-Backbone interact. energy: -1.074
local terms energy: -34.192189
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -1.498
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -184.821121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.821121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.821121 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.867
local terms energy: -70.710135
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -170.048907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.048907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.048907 (E_RNA)
where:
Base-Base interactions energy: -103.944
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.002
local terms energy: -66.102693
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.284
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: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -171.736104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.736104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.736104 (E_RNA)
where:
Base-Base interactions energy: -110.250
where: short stacking energy: -44.758
Base-Backbone interact. energy: -0.658
local terms energy: -60.828340
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -9.643
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -167.923165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.923165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.923165 (E_RNA)
where:
Base-Base interactions energy: -108.152
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.063
local terms energy: -59.708268
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -96.612862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.612862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.612862 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -32.567
Base-Backbone interact. energy: -0.138
local terms energy: -63.907270
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -6.961
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: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -89.370101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370101 (E_RNA)
where:
Base-Base interactions energy: -36.591
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.146
local terms energy: -52.633091
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -86.653365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.653365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.653365 (E_RNA)
where:
Base-Base interactions energy: -38.775
where: short stacking energy: -24.135
Base-Backbone interact. energy: 0.228
local terms energy: -48.106619
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -79.824794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.824794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.824794 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.114
local terms energy: -45.919728
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -6.684
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -77.089746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.089746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.089746 (E_RNA)
where:
Base-Base interactions energy: -41.618
where: short stacking energy: -19.072
Base-Backbone interact. energy: -0.189
local terms energy: -35.282638
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -6.900
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -73.856456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.856456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.856456 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -25.267
Base-Backbone interact. energy: -1.000
local terms energy: -44.321680
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -6.185
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: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -177.690054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.690054 (E_RNA)
where:
Base-Base interactions energy: -117.260
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.304
local terms energy: -60.125158
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -185.220738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.220738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.220738 (E_RNA)
where:
Base-Base interactions energy: -113.213
where: short stacking energy: -60.414
Base-Backbone interact. energy: -1.967
local terms energy: -70.040813
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -10.338
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: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -160.206514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.206514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.206514 (E_RNA)
where:
Base-Base interactions energy: -98.192
where: short stacking energy: -48.112
Base-Backbone interact. energy: -0.079
local terms energy: -61.935892
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -166.981218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.981218 (E_RNA)
where:
Base-Base interactions energy: -102.956
where: short stacking energy: -52.155
Base-Backbone interact. energy: 1.540
local terms energy: -65.564831
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -118.478278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.478278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.478278 (E_RNA)
where:
Base-Base interactions energy: -63.953
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.008
local terms energy: -54.517391
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.887
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -83.810946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.810946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.810946 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -20.633
Base-Backbone interact. energy: -0.163
local terms energy: -46.094930
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -103.078435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.078435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.078435 (E_RNA)
where:
Base-Base interactions energy: -54.158
where: short stacking energy: -26.086
Base-Backbone interact. energy: -0.475
local terms energy: -48.445261
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -79.028663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.028663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.028663 (E_RNA)
where:
Base-Base interactions energy: -44.698
where: short stacking energy: -23.510
Base-Backbone interact. energy: 0.089
local terms energy: -34.420003
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: 2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -76.456160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456160 (E_RNA)
where:
Base-Base interactions energy: -28.779
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.152
local terms energy: -47.524591
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -67.045217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.045217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.045217 (E_RNA)
where:
Base-Base interactions energy: -22.943
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.085
local terms energy: -44.017551
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -180.359948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.359948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.359948 (E_RNA)
where:
Base-Base interactions energy: -116.385
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.182
local terms energy: -63.793386
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -9.775
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -171.808452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.808452 (E_RNA)
where:
Base-Base interactions energy: -103.669
where: short stacking energy: -53.568
Base-Backbone interact. energy: -0.609
local terms energy: -67.529996
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -180.178850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.178850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.178850 (E_RNA)
where:
Base-Base interactions energy: -109.193
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.087
local terms energy: -70.899548
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -165.117125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.117125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.117125 (E_RNA)
where:
Base-Base interactions energy: -98.909
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.625
local terms energy: -65.583080
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -102.628986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.628986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.628986 (E_RNA)
where:
Base-Base interactions energy: -52.656
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.020
local terms energy: -49.952968
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -8.154
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: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -89.849130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849130 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -39.258
Base-Backbone interact. energy: -0.337
local terms energy: -50.254040
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -6.238
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -79.290039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.290039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.290039 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -15.138
Base-Backbone interact. energy: -0.158
local terms energy: -48.111706
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -4.744
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: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -81.930274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930274 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.228
local terms energy: -46.675726
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -7.365
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: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -71.942898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.942898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.942898 (E_RNA)
where:
Base-Base interactions energy: -25.729
where: short stacking energy: -24.785
Base-Backbone interact. energy: 1.043
local terms energy: -47.256614
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -67.186433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.186433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.186433 (E_RNA)
where:
Base-Base interactions energy: -21.291
where: short stacking energy: -15.795
Base-Backbone interact. energy: -0.217
local terms energy: -45.678432
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -181.708076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708076 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.918
local terms energy: -60.362672
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.788
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: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -165.550230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.550230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.550230 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.089
local terms energy: -51.737259
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -170.677827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.677827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.677827 (E_RNA)
where:
Base-Base interactions energy: -104.520
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.803
local terms energy: -65.354291
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -17.963
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: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -173.005484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.005484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.005484 (E_RNA)
where:
Base-Base interactions energy: -117.750
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.165
local terms energy: -55.091442
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -11.845
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: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -90.521191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.521191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.521191 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -29.116
Base-Backbone interact. energy: 0.328
local terms energy: -48.585439
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -88.584879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.584879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.584879 (E_RNA)
where:
Base-Base interactions energy: -34.861
where: short stacking energy: -34.961
Base-Backbone interact. energy: -0.045
local terms energy: -53.678987
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -8.262
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: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -89.731619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731619 (E_RNA)
where:
Base-Base interactions energy: -42.139
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.120
local terms energy: -47.471948
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -11.614
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: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -81.251227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.251227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.251227 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.020
local terms energy: -46.476814
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -71.341177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.341177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.341177 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -24.969
Base-Backbone interact. energy: 0.995
local terms energy: -45.052115
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.372415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372415 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -30.403
Base-Backbone interact. energy: -0.117
local terms energy: -48.646072
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -181.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.580466 (E_RNA)
where:
Base-Base interactions energy: -114.330
where: short stacking energy: -54.896
Base-Backbone interact. energy: -0.823
local terms energy: -66.426937
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -12.882
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: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -178.019796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.019796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.019796 (E_RNA)
where:
Base-Base interactions energy: -109.225
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.970
local terms energy: -67.824785
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -17.068
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -188.954026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.954026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.954026 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.110
local terms energy: -60.365958
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -5.657
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -165.123569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.123569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.123569 (E_RNA)
where:
Base-Base interactions energy: -97.233
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.134
local terms energy: -67.756610
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -100.350491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.350491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.350491 (E_RNA)
where:
Base-Base interactions energy: -46.957
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.077
local terms energy: -53.316514
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -86.396729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396729 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.251
local terms energy: -44.564969
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -2.122
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -84.802553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.802553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.802553 (E_RNA)
where:
Base-Base interactions energy: -27.825
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.074
local terms energy: -56.903589
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -66.528282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.528282 (E_RNA)
where:
Base-Base interactions energy: -21.524
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.219
local terms energy: -44.785675
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -71.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.234643 (E_RNA)
where:
Base-Base interactions energy: -15.455
where: short stacking energy: -13.841
Base-Backbone interact. energy: -0.205
local terms energy: -55.574099
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -64.751385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.751385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.751385 (E_RNA)
where:
Base-Base interactions energy: -17.972
where: short stacking energy: -17.972
Base-Backbone interact. energy: -0.255
local terms energy: -46.523713
where:
bonds (distance) C4'-P energy: -5.337
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -184.872564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.872564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.872564 (E_RNA)
where:
Base-Base interactions energy: -122.365
where: short stacking energy: -63.861
Base-Backbone interact. energy: -0.082
local terms energy: -62.426106
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -180.800678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.800678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.800678 (E_RNA)
where:
Base-Base interactions energy: -118.749
where: short stacking energy: -46.866
Base-Backbone interact. energy: -0.051
local terms energy: -62.000396
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.718
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -178.999661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.999661 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.009
local terms energy: -68.340807
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.659
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -171.899148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.899148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.899148 (E_RNA)
where:
Base-Base interactions energy: -106.676
where: short stacking energy: -53.135
Base-Backbone interact. energy: -0.000
local terms energy: -65.223134
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -117.212676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.212676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.212676 (E_RNA)
where:
Base-Base interactions energy: -56.445
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.142
local terms energy: -60.626137
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -98.085583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.085583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.085583 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -31.099
Base-Backbone interact. energy: 1.492
local terms energy: -51.221522
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -76.552821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.552821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.552821 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.149
local terms energy: -42.160891
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -91.870794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870794 (E_RNA)
where:
Base-Base interactions energy: -49.284
where: short stacking energy: -24.067
Base-Backbone interact. energy: -0.080
local terms energy: -42.506986
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -8.772
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: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -77.434779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.434779 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -28.568
Base-Backbone interact. energy: -0.204
local terms energy: -41.839150
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -68.920747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.920747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.920747 (E_RNA)
where:
Base-Base interactions energy: -24.558
where: short stacking energy: -23.821
Base-Backbone interact. energy: -0.029
local terms energy: -44.334299
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -2.586
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: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -178.825925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.825925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.825925 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.094
local terms energy: -59.946186
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -188.478881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478881 (E_RNA)
where:
Base-Base interactions energy: -120.658
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.000
local terms energy: -67.820718
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.423
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -171.082376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.082376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.082376 (E_RNA)
where:
Base-Base interactions energy: -115.027
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.143
local terms energy: -55.912840
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -175.341942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.341942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.341942 (E_RNA)
where:
Base-Base interactions energy: -105.092
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.050
local terms energy: -70.199257
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -105.621360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.621360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.621360 (E_RNA)
where:
Base-Base interactions energy: -52.408
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.954
local terms energy: -52.259460
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -1.935
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -85.592962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.592962 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -27.175
Base-Backbone interact. energy: -0.139
local terms energy: -52.852158
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -6.888
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: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -77.568322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.568322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.568322 (E_RNA)
where:
Base-Base interactions energy: -32.347
where: short stacking energy: -32.347
Base-Backbone interact. energy: -0.094
local terms energy: -45.126912
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -7.571
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -90.935407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935407 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -32.959
Base-Backbone interact. energy: 0.025
local terms energy: -47.047776
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -4.359
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -74.378484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.378484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.378484 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.212
local terms energy: -36.141013
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -77.015190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.015190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.015190 (E_RNA)
where:
Base-Base interactions energy: -34.436
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.006
local terms energy: -42.572526
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -180.227375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.227375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.227375 (E_RNA)
where:
Base-Base interactions energy: -111.136
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.999
local terms energy: -68.092050
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -177.955030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955030 (E_RNA)
where:
Base-Base interactions energy: -105.640
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.204
local terms energy: -72.111186
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -162.063475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.063475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.063475 (E_RNA)
where:
Base-Base interactions energy: -106.607
where: short stacking energy: -43.843
Base-Backbone interact. energy: -0.869
local terms energy: -54.587257
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -8.554
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: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -173.850773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.850773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.850773 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -51.602
Base-Backbone interact. energy: -0.126
local terms energy: -58.708719
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -112.892686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.892686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.892686 (E_RNA)
where:
Base-Base interactions energy: -61.998
where: short stacking energy: -35.341
Base-Backbone interact. energy: 0.224
local terms energy: -51.119326
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -105.408152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408152 (E_RNA)
where:
Base-Base interactions energy: -52.749
where: short stacking energy: -26.342
Base-Backbone interact. energy: 0.027
local terms energy: -52.686078
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -2.631
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: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -86.170893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.170893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.170893 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -19.406
Base-Backbone interact. energy: -0.395
local terms energy: -51.692180
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -83.180175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180175 (E_RNA)
where:
Base-Base interactions energy: -33.221
where: short stacking energy: -33.221
Base-Backbone interact. energy: -0.054
local terms energy: -49.904921
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -73.867985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.867985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.867985 (E_RNA)
where:
Base-Base interactions energy: -30.007
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.141
local terms energy: -43.719545
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -6.456
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: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -88.668883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668883 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -24.056
Base-Backbone interact. energy: 1.326
local terms energy: -56.004035
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -9.814
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: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -183.208454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.208454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.208454 (E_RNA)
where:
Base-Base interactions energy: -121.375
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.180
local terms energy: -61.653278
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -169.437227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.437227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.437227 (E_RNA)
where:
Base-Base interactions energy: -109.777
where: short stacking energy: -49.067
Base-Backbone interact. energy: -0.755
local terms energy: -58.905867
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -11.610
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: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -164.556203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.556203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.556203 (E_RNA)
where:
Base-Base interactions energy: -104.058
where: short stacking energy: -45.776
Base-Backbone interact. energy: -1.119
local terms energy: -59.379220
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -7.603
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: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -170.457918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.457918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.457918 (E_RNA)
where:
Base-Base interactions energy: -113.569
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.189
local terms energy: -56.700174
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -11.633
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: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -118.596581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.596581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.596581 (E_RNA)
where:
Base-Base interactions energy: -63.690
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.856
local terms energy: -54.051381
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -94.145628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145628 (E_RNA)
where:
Base-Base interactions energy: -49.687
where: short stacking energy: -27.485
Base-Backbone interact. energy: -0.030
local terms energy: -44.428965
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -3.833
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -80.609178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.609178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.609178 (E_RNA)
where:
Base-Base interactions energy: -30.319
where: short stacking energy: -17.964
Base-Backbone interact. energy: -0.089
local terms energy: -50.201001
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.937648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.937648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.937648 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -19.119
Base-Backbone interact. energy: -0.195
local terms energy: -48.425182
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -68.274641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.274641 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -21.207
Base-Backbone interact. energy: -0.350
local terms energy: -46.360576
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -1.809
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: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -67.931022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.931022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.931022 (E_RNA)
where:
Base-Base interactions energy: -24.637
where: short stacking energy: -22.831
Base-Backbone interact. energy: -0.101
local terms energy: -43.193476
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -0.512
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: 98
Temperature: 0.900000
Total energy: -187.330750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.330750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.330750 (E_RNA)
where:
Base-Base interactions energy: -117.250
where: short stacking energy: -60.091
Base-Backbone interact. energy: -1.376
local terms energy: -68.703984
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -182.251139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251139 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -56.944
Base-Backbone interact. energy: -0.452
local terms energy: -68.193948
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -167.792266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.792266 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -53.943
Base-Backbone interact. energy: -0.089
local terms energy: -59.197727
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -12.563
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: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -170.526696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.526696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.526696 (E_RNA)
where:
Base-Base interactions energy: -112.463
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.208
local terms energy: -57.854996
where:
bonds (distance) C4'-P energy: -7.820
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -11.621
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: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -110.112418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.112418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.112418 (E_RNA)
where:
Base-Base interactions energy: -44.496
where: short stacking energy: -42.264
Base-Backbone interact. energy: -0.000
local terms energy: -65.615842
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.195
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: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -98.430943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.430943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.430943 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -33.814
Base-Backbone interact. energy: -0.113
local terms energy: -57.888135
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -7.391
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: 98
Temperature: 1.200000
Total energy: -98.996386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.996386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.996386 (E_RNA)
where:
Base-Base interactions energy: -58.141
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.001
local terms energy: -40.854474
where:
bonds (distance) C4'-P energy: -5.416
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -2.916
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: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -82.427902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.427902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.427902 (E_RNA)
where:
Base-Base interactions energy: -30.371
where: short stacking energy: -30.371
Base-Backbone interact. energy: -0.095
local terms energy: -51.962070
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -69.640347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.640347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.640347 (E_RNA)
where:
Base-Base interactions energy: -22.824
where: short stacking energy: -22.824
Base-Backbone interact. energy: -0.126
local terms energy: -46.690621
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -10.296
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -82.320642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.320642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.320642 (E_RNA)
where:
Base-Base interactions energy: -31.060
where: short stacking energy: -30.512
Base-Backbone interact. energy: 0.099
local terms energy: -51.359721
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -181.995245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.995245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.995245 (E_RNA)
where:
Base-Base interactions energy: -109.722
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.002
local terms energy: -72.271337
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -165.953607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.953607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.953607 (E_RNA)
where:
Base-Base interactions energy: -106.579
where: short stacking energy: -51.000
Base-Backbone interact. energy: -1.006
local terms energy: -58.368020
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -180.141263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.141263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.141263 (E_RNA)
where:
Base-Base interactions energy: -111.221
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.002
local terms energy: -68.917926
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -158.415648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.415648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.415648 (E_RNA)
where:
Base-Base interactions energy: -97.038
where: short stacking energy: -44.908
Base-Backbone interact. energy: -0.201
local terms energy: -61.177187
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -93.204882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.204882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.204882 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.046
local terms energy: -49.370654
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -2.922
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: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -93.694344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.694344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.694344 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.186
local terms energy: -47.505146
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -0.554
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: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -91.648551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648551 (E_RNA)
where:
Base-Base interactions energy: -38.813
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.160
local terms energy: -52.675979
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -81.834890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834890 (E_RNA)
where:
Base-Base interactions energy: -30.848
where: short stacking energy: -30.848
Base-Backbone interact. energy: -0.105
local terms energy: -50.881679
where:
bonds (distance) C4'-P energy: -4.056
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -72.529899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.529899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.529899 (E_RNA)
where:
Base-Base interactions energy: -30.047
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.095
local terms energy: -42.388356
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -81.818127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.818127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.818127 (E_RNA)
where:
Base-Base interactions energy: -38.819
where: short stacking energy: -25.217
Base-Backbone interact. energy: 0.181
local terms energy: -43.180041
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.004
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: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -191.287795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.287795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.287795 (E_RNA)
where:
Base-Base interactions energy: -126.411
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.106
local terms energy: -64.771255
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -164.091950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.091950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.091950 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -53.380
Base-Backbone interact. energy: -0.075
local terms energy: -64.139739
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -10.619
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -180.074954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.074954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.074954 (E_RNA)
where:
Base-Base interactions energy: -116.385
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.701
local terms energy: -62.988772
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -165.319210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.319210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.319210 (E_RNA)
where:
Base-Base interactions energy: -99.230
where: short stacking energy: -46.486
Base-Backbone interact. energy: 0.073
local terms energy: -66.161762
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -125.438895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.438895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.438895 (E_RNA)
where:
Base-Base interactions energy: -61.817
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.101
local terms energy: -63.521410
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -93.655720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.655720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.655720 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -39.407
Base-Backbone interact. energy: -0.073
local terms energy: -48.909641
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -74.190717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.190717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.190717 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -23.285
Base-Backbone interact. energy: -0.124
local terms energy: -49.542586
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -84.785782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785782 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -34.252
Base-Backbone interact. energy: -0.357
local terms energy: -50.177605
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -64.052973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.052973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.052973 (E_RNA)
where:
Base-Base interactions energy: -21.522
where: short stacking energy: -18.734
Base-Backbone interact. energy: 1.165
local terms energy: -43.696246
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -0.916
tors. eta vs tors. theta energy: -5.552
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: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -69.491496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.491496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.491496 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -25.902
Base-Backbone interact. energy: -0.013
local terms energy: -36.499382
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -9.021
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -183.856862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856862 (E_RNA)
where:
Base-Base interactions energy: -110.677
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.019
local terms energy: -73.161428
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -179.117138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117138 (E_RNA)
where:
Base-Base interactions energy: -105.737
where: short stacking energy: -63.139
Base-Backbone interact. energy: 0.169
local terms energy: -73.549719
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -171.474925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.474925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.474925 (E_RNA)
where:
Base-Base interactions energy: -109.198
where: short stacking energy: -54.051
Base-Backbone interact. energy: -0.124
local terms energy: -62.152767
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -153.794944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.794944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.794944 (E_RNA)
where:
Base-Base interactions energy: -96.584
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.334
local terms energy: -56.877497
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -89.626844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.626844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.626844 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.146
local terms energy: -45.027253
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -80.368718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.368718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.368718 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.023
local terms energy: -49.925621
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -85.027821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.027821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.027821 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.114
local terms energy: -52.070333
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -86.453476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453476 (E_RNA)
where:
Base-Base interactions energy: -30.508
where: short stacking energy: -28.849
Base-Backbone interact. energy: 0.801
local terms energy: -56.746771
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -5.252
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: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -79.756450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756450 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.216
local terms energy: -39.870927
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -70.979638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.979638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.979638 (E_RNA)
where:
Base-Base interactions energy: -28.271
where: short stacking energy: -21.004
Base-Backbone interact. energy: 0.054
local terms energy: -42.762393
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -0.013
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -187.295597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.295597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.295597 (E_RNA)
where:
Base-Base interactions energy: -121.114
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.456
local terms energy: -65.726343
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -176.637324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637324 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.630
local terms energy: -67.748095
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -170.710113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.710113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.710113 (E_RNA)
where:
Base-Base interactions energy: -106.733
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.022
local terms energy: -63.956040
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -149.320214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.320214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.320214 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.848
local terms energy: -56.180851
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -100.732911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732911 (E_RNA)
where:
Base-Base interactions energy: -55.839
where: short stacking energy: -42.606
Base-Backbone interact. energy: 0.969
local terms energy: -45.863207
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -6.272
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -113.702544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.702544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.702544 (E_RNA)
where:
Base-Base interactions energy: -67.217
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.589
local terms energy: -45.895895
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -77.351929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.351929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.351929 (E_RNA)
where:
Base-Base interactions energy: -37.612
where: short stacking energy: -28.669
Base-Backbone interact. energy: -1.101
local terms energy: -38.638983
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -91.751302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751302 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.086
local terms energy: -51.046993
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -7.513
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -75.958319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958319 (E_RNA)
where:
Base-Base interactions energy: -27.264
where: short stacking energy: -27.264
Base-Backbone interact. energy: -0.019
local terms energy: -48.676005
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -8.363
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: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -78.643543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643543 (E_RNA)
where:
Base-Base interactions energy: -38.560
where: short stacking energy: -23.868
Base-Backbone interact. energy: 0.209
local terms energy: -40.292595
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -7.492
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: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -185.249765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.249765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.249765 (E_RNA)
where:
Base-Base interactions energy: -117.128
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.542
local terms energy: -67.579682
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -162.445124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.445124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.445124 (E_RNA)
where:
Base-Base interactions energy: -100.799
where: short stacking energy: -32.508
Base-Backbone interact. energy: -0.883
local terms energy: -60.763170
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -11.200
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: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -171.806070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.806070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.806070 (E_RNA)
where:
Base-Base interactions energy: -110.856
where: short stacking energy: -43.408
Base-Backbone interact. energy: -0.648
local terms energy: -60.301453
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -13.461
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: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -164.924213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.924213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.924213 (E_RNA)
where:
Base-Base interactions energy: -105.632
where: short stacking energy: -54.208
Base-Backbone interact. energy: -0.675
local terms energy: -58.617312
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -12.869
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: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -93.446830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.446830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.446830 (E_RNA)
where:
Base-Base interactions energy: -45.755
where: short stacking energy: -28.674
Base-Backbone interact. energy: -1.811
local terms energy: -45.880536
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -3.454
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: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -82.380085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.380085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.380085 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -32.885
Base-Backbone interact. energy: -0.049
local terms energy: -49.446449
where:
bonds (distance) C4'-P energy: -7.535
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -9.983
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: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -75.869984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.869984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.869984 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.205
local terms energy: -49.710237
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -11.856
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -72.662794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.662794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.662794 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.157
local terms energy: -46.909204
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -2.115
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: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -78.542206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.542206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.542206 (E_RNA)
where:
Base-Base interactions energy: -32.496
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.074
local terms energy: -45.971985
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -65.216627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.216627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.216627 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.054
local terms energy: -39.850554
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -183.243447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243447 (E_RNA)
where:
Base-Base interactions energy: -124.649
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.751
local terms energy: -57.842909
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.458
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -173.871689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.871689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.871689 (E_RNA)
where:
Base-Base interactions energy: -112.172
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.838
local terms energy: -60.861524
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -173.774669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.774669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.774669 (E_RNA)
where:
Base-Base interactions energy: -101.821
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.002
local terms energy: -71.951496
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -165.081462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.081462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.081462 (E_RNA)
where:
Base-Base interactions energy: -107.818
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.072
local terms energy: -57.191493
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -108.002723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.002723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.002723 (E_RNA)
where:
Base-Base interactions energy: -56.672
where: short stacking energy: -37.447
Base-Backbone interact. energy: -0.081
local terms energy: -51.249977
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -90.456139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.456139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.456139 (E_RNA)
where:
Base-Base interactions energy: -42.067
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.259
local terms energy: -48.129932
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -78.535213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.535213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.535213 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.554
local terms energy: -48.245901
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -4.270
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -78.034496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.034496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.034496 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.285
local terms energy: -41.837627
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -71.457458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.457458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.457458 (E_RNA)
where:
Base-Base interactions energy: -25.362
where: short stacking energy: -25.362
Base-Backbone interact. energy: 0.294
local terms energy: -46.388943
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -67.831641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.831641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.831641 (E_RNA)
where:
Base-Base interactions energy: -25.546
where: short stacking energy: -10.247
Base-Backbone interact. energy: -0.052
local terms energy: -42.233641
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: 0.063
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -175.829788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.829788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.829788 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.291
local terms energy: -55.058470
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -165.686911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.686911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.686911 (E_RNA)
where:
Base-Base interactions energy: -103.166
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.322
local terms energy: -62.842356
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -169.172092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.172092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.172092 (E_RNA)
where:
Base-Base interactions energy: -97.123
where: short stacking energy: -50.623
Base-Backbone interact. energy: -0.056
local terms energy: -71.993308
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -164.876735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.876735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.876735 (E_RNA)
where:
Base-Base interactions energy: -101.308
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.055
local terms energy: -63.513500
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -122.098463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.098463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.098463 (E_RNA)
where:
Base-Base interactions energy: -65.026
where: short stacking energy: -40.310
Base-Backbone interact. energy: 0.208
local terms energy: -57.280793
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -90.305320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.305320 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -35.647
Base-Backbone interact. energy: -1.252
local terms energy: -49.779349
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -100.179544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179544 (E_RNA)
where:
Base-Base interactions energy: -48.512
where: short stacking energy: -21.423
Base-Backbone interact. energy: -0.699
local terms energy: -50.968111
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -84.673260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.673260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.673260 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -21.313
Base-Backbone interact. energy: -0.849
local terms energy: -54.774604
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -70.216581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.216581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.216581 (E_RNA)
where:
Base-Base interactions energy: -25.354
where: short stacking energy: -22.493
Base-Backbone interact. energy: -0.059
local terms energy: -44.803801
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -73.405960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.405960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.405960 (E_RNA)
where:
Base-Base interactions energy: -37.369
where: short stacking energy: -22.702
Base-Backbone interact. energy: -0.655
local terms energy: -35.382438
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -189.905396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.905396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.905396 (E_RNA)
where:
Base-Base interactions energy: -125.146
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.185
local terms energy: -64.574969
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -153.861620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.861620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.861620 (E_RNA)
where:
Base-Base interactions energy: -91.298
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.203
local terms energy: -62.360153
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -170.427999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.427999 (E_RNA)
where:
Base-Base interactions energy: -106.036
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.351
local terms energy: -64.040877
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -152.051393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.051393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.051393 (E_RNA)
where:
Base-Base interactions energy: -92.455
where: short stacking energy: -51.596
Base-Backbone interact. energy: -0.649
local terms energy: -58.947429
where:
bonds (distance) C4'-P energy: -3.838
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -97.269636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.269636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.269636 (E_RNA)
where:
Base-Base interactions energy: -48.904
where: short stacking energy: -34.941
Base-Backbone interact. energy: 0.852
local terms energy: -49.217971
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -1.199
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: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -88.598575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598575 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -19.322
Base-Backbone interact. energy: -0.356
local terms energy: -48.654078
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -4.028
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: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -97.687789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.687789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.687789 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.314
local terms energy: -52.060449
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -117.304560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.304560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.304560 (E_RNA)
where:
Base-Base interactions energy: -66.672
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.523
local terms energy: -50.109492
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -73.980531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.980531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.980531 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -21.466
Base-Backbone interact. energy: -0.684
local terms energy: -34.982015
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -67.414088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.414088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.414088 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -19.590
Base-Backbone interact. energy: 0.302
local terms energy: -40.220467
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.091
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: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -184.082464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.082464 (E_RNA)
where:
Base-Base interactions energy: -120.334
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.225
local terms energy: -63.523690
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -177.004013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.004013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.004013 (E_RNA)
where:
Base-Base interactions energy: -110.798
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.003
local terms energy: -66.202985
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -173.815382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.815382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815382 (E_RNA)
where:
Base-Base interactions energy: -110.621
where: short stacking energy: -54.228
Base-Backbone interact. energy: -0.005
local terms energy: -63.189911
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -159.904504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.904504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.904504 (E_RNA)
where:
Base-Base interactions energy: -94.264
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.689
local terms energy: -64.951260
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -94.893479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.893479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.893479 (E_RNA)
where:
Base-Base interactions energy: -46.126
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.176
local terms energy: -48.591436
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -3.166
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: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -84.911143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.911143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.911143 (E_RNA)
where:
Base-Base interactions energy: -36.794
where: short stacking energy: -34.965
Base-Backbone interact. energy: -0.752
local terms energy: -47.364549
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -92.426409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426409 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.151
local terms energy: -59.041692
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -11.812
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: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.621613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621613 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -21.526
Base-Backbone interact. energy: -0.056
local terms energy: -47.374255
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -80.573886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573886 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.015
local terms energy: -43.360461
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.637
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: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -74.695905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.695905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.695905 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -21.579
Base-Backbone interact. energy: -0.298
local terms energy: -47.634434
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -6.654
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: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -174.484280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.484280 (E_RNA)
where:
Base-Base interactions energy: -107.134
where: short stacking energy: -51.480
Base-Backbone interact. energy: -0.575
local terms energy: -66.774974
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -175.010933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.010933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.010933 (E_RNA)
where:
Base-Base interactions energy: -108.547
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.843
local terms energy: -65.621243
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -169.913905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.913905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.913905 (E_RNA)
where:
Base-Base interactions energy: -109.815
where: short stacking energy: -57.608
Base-Backbone interact. energy: -0.026
local terms energy: -60.072560
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -8.768
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -148.631687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.631687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.631687 (E_RNA)
where:
Base-Base interactions energy: -101.889
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.548
local terms energy: -46.194880
where:
bonds (distance) C4'-P energy: -5.585
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -8.965
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -85.671051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.671051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.671051 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.628
local terms energy: -54.638743
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -87.357057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357057 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -24.157
Base-Backbone interact. energy: 0.031
local terms energy: -51.768518
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -87.870644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.870644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.870644 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -34.406
Base-Backbone interact. energy: -0.080
local terms energy: -47.028690
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -6.234
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: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -122.893097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.893097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.893097 (E_RNA)
where:
Base-Base interactions energy: -70.127
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.096
local terms energy: -52.670301
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.411
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: 108
Temperature: 1.300000
Total energy: -70.060589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.060589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.060589 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -28.413
Base-Backbone interact. energy: -0.233
local terms energy: -41.414573
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -2.475
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -82.700817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.700817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.700817 (E_RNA)
where:
Base-Base interactions energy: -35.898
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.066
local terms energy: -46.736252
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -7.073
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: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -177.959088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959088 (E_RNA)
where:
Base-Base interactions energy: -117.793
where: short stacking energy: -52.994
Base-Backbone interact. energy: -0.029
local terms energy: -60.137360
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -178.058839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.058839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.058839 (E_RNA)
where:
Base-Base interactions energy: -105.495
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.850
local terms energy: -71.713734
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -19.855
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: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -175.896179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.896179 (E_RNA)
where:
Base-Base interactions energy: -108.371
where: short stacking energy: -54.970
Base-Backbone interact. energy: -0.508
local terms energy: -67.017456
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -9.021
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: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -162.366107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.366107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.366107 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -45.669
Base-Backbone interact. energy: -0.544
local terms energy: -63.478576
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -93.659011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.659011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.659011 (E_RNA)
where:
Base-Base interactions energy: -55.829
where: short stacking energy: -28.298
Base-Backbone interact. energy: 0.030
local terms energy: -37.860579
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -3.601
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: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -89.561400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.561400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.561400 (E_RNA)
where:
Base-Base interactions energy: -39.339
where: short stacking energy: -38.119
Base-Backbone interact. energy: -0.013
local terms energy: -50.209073
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -100.438658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.438658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.438658 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -27.621
Base-Backbone interact. energy: -0.276
local terms energy: -55.931904
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -88.263074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263074 (E_RNA)
where:
Base-Base interactions energy: -43.440
where: short stacking energy: -16.754
Base-Backbone interact. energy: -0.061
local terms energy: -44.762588
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -79.921747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.921747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.921747 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -25.338
Base-Backbone interact. energy: -0.409
local terms energy: -45.566797
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -2.160
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -67.553989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.553989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.553989 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -16.824
Base-Backbone interact. energy: -0.993
local terms energy: -35.792229
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -185.493330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.493330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.493330 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.959
local terms energy: -64.880012
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -170.989016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.989016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.989016 (E_RNA)
where:
Base-Base interactions energy: -107.617
where: short stacking energy: -52.997
Base-Backbone interact. energy: -1.227
local terms energy: -62.144524
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -162.611273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.611273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.611273 (E_RNA)
where:
Base-Base interactions energy: -101.425
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.083
local terms energy: -61.102489
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -163.370447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.370447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.370447 (E_RNA)
where:
Base-Base interactions energy: -99.950
where: short stacking energy: -46.563
Base-Backbone interact. energy: 2.209
local terms energy: -65.629390
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -93.079306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079306 (E_RNA)
where:
Base-Base interactions energy: -41.664
where: short stacking energy: -37.743
Base-Backbone interact. energy: -0.291
local terms energy: -51.123900
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -86.603569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603569 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -28.405
Base-Backbone interact. energy: -0.144
local terms energy: -55.956836
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -102.601788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.601788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.601788 (E_RNA)
where:
Base-Base interactions energy: -51.833
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.088
local terms energy: -50.680000
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -2.776
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -102.338181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.338181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.338181 (E_RNA)
where:
Base-Base interactions energy: -61.965
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.183
local terms energy: -40.189597
where:
bonds (distance) C4'-P energy: -5.605
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -65.774481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.774481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.774481 (E_RNA)
where:
Base-Base interactions energy: -15.745
where: short stacking energy: -15.529
Base-Backbone interact. energy: 0.028
local terms energy: -50.057887
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -70.675091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.675091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.675091 (E_RNA)
where:
Base-Base interactions energy: -21.590
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.067
local terms energy: -49.018166
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -183.862791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.862791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.862791 (E_RNA)
where:
Base-Base interactions energy: -104.763
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.632
local terms energy: -78.467969
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -17.502
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -168.852796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852796 (E_RNA)
where:
Base-Base interactions energy: -103.875
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.104
local terms energy: -64.873616
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -161.821118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.821118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.821118 (E_RNA)
where:
Base-Base interactions energy: -96.694
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.566
local terms energy: -64.560839
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -16.617
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: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -173.594025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.594025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.594025 (E_RNA)
where:
Base-Base interactions energy: -106.605
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.559
local terms energy: -66.429987
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -88.932261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932261 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -38.313
Base-Backbone interact. energy: -0.186
local terms energy: -50.433142
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -93.585411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585411 (E_RNA)
where:
Base-Base interactions energy: -51.404
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.032
local terms energy: -42.148493
where:
bonds (distance) C4'-P energy: -7.017
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -3.255
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: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -78.321118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.321118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.321118 (E_RNA)
where:
Base-Base interactions energy: -23.950
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.008
local terms energy: -54.363174
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -9.453
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -81.897778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897778 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -19.975
Base-Backbone interact. energy: 0.140
local terms energy: -41.442326
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -86.002525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002525 (E_RNA)
where:
Base-Base interactions energy: -34.641
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.063
local terms energy: -51.298580
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -71.563260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.563260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.563260 (E_RNA)
where:
Base-Base interactions energy: -22.884
where: short stacking energy: -16.544
Base-Backbone interact. energy: -0.629
local terms energy: -48.050109
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -177.375429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.375429 (E_RNA)
where:
Base-Base interactions energy: -106.656
where: short stacking energy: -53.542
Base-Backbone interact. energy: -0.712
local terms energy: -70.007650
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -170.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.131909 (E_RNA)
where:
Base-Base interactions energy: -104.460
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.849
local terms energy: -64.823590
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.926
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: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -158.470123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.470123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.470123 (E_RNA)
where:
Base-Base interactions energy: -96.248
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.955
local terms energy: -61.267280
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -161.865388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.865388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.865388 (E_RNA)
where:
Base-Base interactions energy: -103.366
where: short stacking energy: -39.031
Base-Backbone interact. energy: -1.345
local terms energy: -57.155247
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -10.262
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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -90.662464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.662464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.662464 (E_RNA)
where:
Base-Base interactions energy: -39.174
where: short stacking energy: -27.631
Base-Backbone interact. energy: -1.816
local terms energy: -49.672821
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -121.432978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.432978 (E_RNA)
where:
Base-Base interactions energy: -65.446
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.022
local terms energy: -55.964437
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -80.822651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822651 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -25.087
Base-Backbone interact. energy: -1.005
local terms energy: -41.254591
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -97.654918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.654918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.654918 (E_RNA)
where:
Base-Base interactions energy: -58.388
where: short stacking energy: -23.635
Base-Backbone interact. energy: 0.033
local terms energy: -39.299385
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -81.519548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519548 (E_RNA)
where:
Base-Base interactions energy: -29.189
where: short stacking energy: -25.265
Base-Backbone interact. energy: -0.124
local terms energy: -52.206834
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -73.372077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.372077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.372077 (E_RNA)
where:
Base-Base interactions energy: -23.098
where: short stacking energy: -16.399
Base-Backbone interact. energy: -0.094
local terms energy: -50.180106
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -184.360897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.360897 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -56.008
Base-Backbone interact. energy: -1.667
local terms energy: -70.642021
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -172.099816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.099816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.099816 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.033
local terms energy: -70.955908
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.610
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: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -171.976868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.976868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.976868 (E_RNA)
where:
Base-Base interactions energy: -111.876
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.166
local terms energy: -59.934656
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -172.908515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.908515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.908515 (E_RNA)
where:
Base-Base interactions energy: -107.060
where: short stacking energy: -59.392
Base-Backbone interact. energy: -1.767
local terms energy: -64.081429
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -118.970273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.970273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.970273 (E_RNA)
where:
Base-Base interactions energy: -60.698
where: short stacking energy: -35.910
Base-Backbone interact. energy: -0.178
local terms energy: -58.094734
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -126.985855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.985855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.985855 (E_RNA)
where:
Base-Base interactions energy: -72.187
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.800
local terms energy: -53.998596
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -80.053294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053294 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -17.160
Base-Backbone interact. energy: 2.682
local terms energy: -43.983901
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -78.528455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528455 (E_RNA)
where:
Base-Base interactions energy: -34.671
where: short stacking energy: -26.297
Base-Backbone interact. energy: -0.073
local terms energy: -43.784367
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -99.431508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.431508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.431508 (E_RNA)
where:
Base-Base interactions energy: -47.142
where: short stacking energy: -14.673
Base-Backbone interact. energy: -0.198
local terms energy: -52.091391
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -71.853267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.853267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.853267 (E_RNA)
where:
Base-Base interactions energy: -27.374
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.278
local terms energy: -44.201791
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.294
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: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -182.241436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.241436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.241436 (E_RNA)
where:
Base-Base interactions energy: -109.441
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.425
local terms energy: -72.375925
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -17.430
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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -173.598896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.598896 (E_RNA)
where:
Base-Base interactions energy: -103.270
where: short stacking energy: -48.869
Base-Backbone interact. energy: 1.256
local terms energy: -71.585668
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -170.948548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.948548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.948548 (E_RNA)
where:
Base-Base interactions energy: -110.257
where: short stacking energy: -56.431
Base-Backbone interact. energy: 0.248
local terms energy: -60.939165
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -169.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.065031 (E_RNA)
where:
Base-Base interactions energy: -105.767
where: short stacking energy: -49.657
Base-Backbone interact. energy: -0.155
local terms energy: -63.143027
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -11.983
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: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -93.614355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614355 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.013
local terms energy: -57.897321
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -9.715
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: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -95.798101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.798101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.798101 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -31.759
Base-Backbone interact. energy: -0.193
local terms energy: -53.160475
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -85.266402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266402 (E_RNA)
where:
Base-Base interactions energy: -28.255
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.727
local terms energy: -56.283765
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -78.690305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.690305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.690305 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -26.162
Base-Backbone interact. energy: -0.225
local terms energy: -38.875595
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -6.554
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: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -75.828547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.828547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.828547 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.000
local terms energy: -51.215856
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -62.440424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.440424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.440424 (E_RNA)
where:
Base-Base interactions energy: -24.747
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.299
local terms energy: -37.394666
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -183.550964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550964 (E_RNA)
where:
Base-Base interactions energy: -110.386
where: short stacking energy: -50.912
Base-Backbone interact. energy: -0.632
local terms energy: -72.533071
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -177.395865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.395865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.395865 (E_RNA)
where:
Base-Base interactions energy: -120.554
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.615
local terms energy: -56.226410
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -174.329484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.329484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.329484 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.223
local terms energy: -66.337859
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -160.406891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.406891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.406891 (E_RNA)
where:
Base-Base interactions energy: -102.228
where: short stacking energy: -37.244
Base-Backbone interact. energy: -1.031
local terms energy: -57.148472
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -9.124
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: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -115.420494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.420494 (E_RNA)
where:
Base-Base interactions energy: -63.565
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.017
local terms energy: -51.839026
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -101.479667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.479667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.479667 (E_RNA)
where:
Base-Base interactions energy: -38.437
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.100
local terms energy: -62.942402
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -91.877920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.877920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.877920 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -36.305
Base-Backbone interact. energy: -0.159
local terms energy: -55.413210
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -82.634506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.634506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.634506 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.110
local terms energy: -46.480113
where:
bonds (distance) C4'-P energy: -7.136
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -11.603
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: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -71.465317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.465317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.465317 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -16.469
Base-Backbone interact. energy: -0.343
local terms energy: -42.391726
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -7.581
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: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -73.780330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.780330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.780330 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.029
local terms energy: -46.970913
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -3.953
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: 116
Temperature: 0.900000
Total energy: -182.962546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.962546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.962546 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.002
local terms energy: -68.184503
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -177.258540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.258540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.258540 (E_RNA)
where:
Base-Base interactions energy: -111.787
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.824
local terms energy: -64.647566
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -171.959685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.959685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.959685 (E_RNA)
where:
Base-Base interactions energy: -108.694
where: short stacking energy: -46.674
Base-Backbone interact. energy: -1.024
local terms energy: -62.241821
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.984
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: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -168.339117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.339117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.339117 (E_RNA)
where:
Base-Base interactions energy: -110.114
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.903
local terms energy: -57.322424
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -6.366
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: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -92.807808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.807808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.807808 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.227
local terms energy: -58.513307
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -9.317
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: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -97.564149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.564149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.564149 (E_RNA)
where:
Base-Base interactions energy: -59.118
where: short stacking energy: -33.135
Base-Backbone interact. energy: 0.845
local terms energy: -39.290836
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -1.492
tors. eta vs tors. theta energy: -4.224
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -91.515900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.515900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.515900 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -17.697
Base-Backbone interact. energy: 0.346
local terms energy: -49.655601
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -2.346
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: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -78.337534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.337534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.337534 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -31.675
Base-Backbone interact. energy: -0.071
local terms energy: -46.591559
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -71.497429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.497429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.497429 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.177
local terms energy: -40.865745
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -65.057429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.057429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.057429 (E_RNA)
where:
Base-Base interactions energy: -24.661
where: short stacking energy: -20.781
Base-Backbone interact. energy: -0.687
local terms energy: -39.709772
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -7.687
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: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -178.235907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.235907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.235907 (E_RNA)
where:
Base-Base interactions energy: -109.388
where: short stacking energy: -51.666
Base-Backbone interact. energy: -0.102
local terms energy: -68.746409
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -177.352820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.352820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.352820 (E_RNA)
where:
Base-Base interactions energy: -106.159
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.137
local terms energy: -71.056258
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -166.850788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.850788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.850788 (E_RNA)
where:
Base-Base interactions energy: -98.899
where: short stacking energy: -50.367
Base-Backbone interact. energy: -0.064
local terms energy: -67.887924
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -160.351944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.351944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.351944 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.957
local terms energy: -51.630635
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -86.228689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228689 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.256
local terms energy: -49.449018
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -5.889
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: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -89.558629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.558629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.558629 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.092
local terms energy: -57.252358
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.294
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -75.359160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.359160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.359160 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -27.946
Base-Backbone interact. energy: 1.263
local terms energy: -42.793204
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -97.683395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.683395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.683395 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -27.204
Base-Backbone interact. energy: -0.089
local terms energy: -50.695002
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -72.283926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.283926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.283926 (E_RNA)
where:
Base-Base interactions energy: -26.358
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.191
local terms energy: -45.734599
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -1.819
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: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -73.112782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.112782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.112782 (E_RNA)
where:
Base-Base interactions energy: -22.026
where: short stacking energy: -20.998
Base-Backbone interact. energy: -0.269
local terms energy: -50.817534
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -184.378339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.378339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.378339 (E_RNA)
where:
Base-Base interactions energy: -121.388
where: short stacking energy: -54.045
Base-Backbone interact. energy: -1.662
local terms energy: -61.328337
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -12.365
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: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -182.405275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.405275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.405275 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.007
local terms energy: -67.982030
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -169.064712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.064712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.064712 (E_RNA)
where:
Base-Base interactions energy: -110.297
where: short stacking energy: -45.145
Base-Backbone interact. energy: -0.519
local terms energy: -58.249260
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -16.194
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: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -177.149894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.149894 (E_RNA)
where:
Base-Base interactions energy: -111.672
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.106
local terms energy: -65.371975
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -85.600276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600276 (E_RNA)
where:
Base-Base interactions energy: -37.811
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.053
local terms energy: -47.736662
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -7.513
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: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -86.681646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.681646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.681646 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: -1.079
local terms energy: -50.474202
where:
bonds (distance) C4'-P energy: -6.281
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -9.109
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -90.706021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706021 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.771
local terms energy: -46.200620
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -75.210212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.210212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.210212 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.027
local terms energy: -45.763302
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -71.151627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.151627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.151627 (E_RNA)
where:
Base-Base interactions energy: -22.602
where: short stacking energy: -22.602
Base-Backbone interact. energy: -0.136
local terms energy: -48.414231
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -83.121898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.121898 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -15.397
Base-Backbone interact. energy: -0.381
local terms energy: -54.076721
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.141
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: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -180.926498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.926498 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.064
local terms energy: -68.402054
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.314
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: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -178.578325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.578325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.578325 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.647
local terms energy: -62.023900
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -5.825
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: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -176.398075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.398075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.398075 (E_RNA)
where:
Base-Base interactions energy: -112.406
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.494
local terms energy: -63.498421
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -14.395
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: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -124.846649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.846649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.846649 (E_RNA)
where:
Base-Base interactions energy: -65.214
where: short stacking energy: -37.734
Base-Backbone interact. energy: -0.007
local terms energy: -59.625354
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -168.667805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.667805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.667805 (E_RNA)
where:
Base-Base interactions energy: -108.201
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.394
local terms energy: -60.072234
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -91.913737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913737 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -36.594
Base-Backbone interact. energy: -0.046
local terms energy: -55.274524
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -89.042498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.042498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.042498 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.015
local terms energy: -54.997409
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -81.530734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.530734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.530734 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.312
local terms energy: -45.540399
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -3.923
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: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -69.382628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.382628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.382628 (E_RNA)
where:
Base-Base interactions energy: -27.715
where: short stacking energy: -24.534
Base-Backbone interact. energy: 0.063
local terms energy: -41.730997
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -66.340331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.340331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.340331 (E_RNA)
where:
Base-Base interactions energy: -28.660
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.101
local terms energy: -37.579911
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -174.570420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570420 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.393
local terms energy: -63.790258
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -10.237
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -176.665797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.665797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.665797 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.002
local terms energy: -59.181298
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -2.264
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: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -179.769091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769091 (E_RNA)
where:
Base-Base interactions energy: -112.947
where: short stacking energy: -51.900
Base-Backbone interact. energy: -1.448
local terms energy: -65.373604
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -125.145979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.145979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.145979 (E_RNA)
where:
Base-Base interactions energy: -75.426
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.245
local terms energy: -49.475111
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -154.177575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.177575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.177575 (E_RNA)
where:
Base-Base interactions energy: -94.621
where: short stacking energy: -47.014
Base-Backbone interact. energy: 0.166
local terms energy: -59.722165
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -113.085607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.085607 (E_RNA)
where:
Base-Base interactions energy: -58.115
where: short stacking energy: -43.899
Base-Backbone interact. energy: 0.707
local terms energy: -55.677634
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -88.277456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277456 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.040
local terms energy: -53.587465
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -67.969835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.969835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.969835 (E_RNA)
where:
Base-Base interactions energy: -30.601
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.006
local terms energy: -37.363036
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -1.914
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -82.235952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.235952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.235952 (E_RNA)
where:
Base-Base interactions energy: -33.262
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.595
local terms energy: -48.379611
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -71.185625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.185625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.185625 (E_RNA)
where:
Base-Base interactions energy: -21.347
where: short stacking energy: -21.347
Base-Backbone interact. energy: -0.161
local terms energy: -49.677738
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -171.051637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.051637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.051637 (E_RNA)
where:
Base-Base interactions energy: -111.979
where: short stacking energy: -51.207
Base-Backbone interact. energy: -0.315
local terms energy: -58.757386
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -180.051225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.051225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.051225 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.108
local terms energy: -68.145066
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -10.496
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: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -174.334360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.334360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.334360 (E_RNA)
where:
Base-Base interactions energy: -106.968
where: short stacking energy: -55.004
Base-Backbone interact. energy: -0.272
local terms energy: -67.094299
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -164.207222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.207222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.207222 (E_RNA)
where:
Base-Base interactions energy: -107.328
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.097
local terms energy: -56.782345
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -3.034
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: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -117.144515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.144515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.144515 (E_RNA)
where:
Base-Base interactions energy: -60.850
where: short stacking energy: -39.507
Base-Backbone interact. energy: -0.147
local terms energy: -56.147460
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -83.500334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500334 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.015
local terms energy: -43.534221
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -1.117
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -81.533590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533590 (E_RNA)
where:
Base-Base interactions energy: -31.545
where: short stacking energy: -22.532
Base-Backbone interact. energy: 0.877
local terms energy: -50.864842
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -79.625466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.625466 (E_RNA)
where:
Base-Base interactions energy: -36.402
where: short stacking energy: -15.698
Base-Backbone interact. energy: -0.086
local terms energy: -43.137383
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: 2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -72.830530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.830530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.830530 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.612
local terms energy: -44.339207
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -1.199
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -67.764187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.764187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.764187 (E_RNA)
where:
Base-Base interactions energy: -28.529
where: short stacking energy: -7.997
Base-Backbone interact. energy: -1.003
local terms energy: -38.232649
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -178.660740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.660740 (E_RNA)
where:
Base-Base interactions energy: -113.045
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.005
local terms energy: -65.610508
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -7.808
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: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -172.012459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.012459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.012459 (E_RNA)
where:
Base-Base interactions energy: -96.469
where: short stacking energy: -54.783
Base-Backbone interact. energy: -2.150
local terms energy: -73.393726
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -173.895726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895726 (E_RNA)
where:
Base-Base interactions energy: -105.390
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.002
local terms energy: -68.503504
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -160.885298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.885298 (E_RNA)
where:
Base-Base interactions energy: -102.602
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.451
local terms energy: -57.832220
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -91.887640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.887640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.887640 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.183
local terms energy: -62.266934
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -104.497980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.497980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.497980 (E_RNA)
where:
Base-Base interactions energy: -42.560
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.485
local terms energy: -61.452752
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -11.362
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: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -85.929000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929000 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.117
local terms energy: -50.243141
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -100.287639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.287639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.287639 (E_RNA)
where:
Base-Base interactions energy: -47.099
where: short stacking energy: -27.943
Base-Backbone interact. energy: -0.125
local terms energy: -53.063712
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -8.434
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: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -70.588981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.588981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.588981 (E_RNA)
where:
Base-Base interactions energy: -27.877
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.206
local terms energy: -42.505799
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -72.887268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.887268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.887268 (E_RNA)
where:
Base-Base interactions energy: -29.103
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.036
local terms energy: -43.748483
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -178.957695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.957695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.957695 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -60.370
Base-Backbone interact. energy: -2.648
local terms energy: -67.653792
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -189.763213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.763213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.763213 (E_RNA)
where:
Base-Base interactions energy: -119.069
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.598
local terms energy: -70.095370
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -177.896793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.896793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.896793 (E_RNA)
where:
Base-Base interactions energy: -111.170
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.727
local terms energy: -65.999565
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -149.373371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.373371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.373371 (E_RNA)
where:
Base-Base interactions energy: -92.240
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.006
local terms energy: -57.127641
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -10.041
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: 123
Temperature: 1.100000
Total energy: -99.526461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.526461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.526461 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.013
local terms energy: -56.683386
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -123.014784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.014784 (E_RNA)
where:
Base-Base interactions energy: -61.453
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.065
local terms energy: -61.496100
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -79.562086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562086 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -25.632
Base-Backbone interact. energy: 0.755
local terms energy: -53.516925
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -83.665770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.665770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.665770 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -27.746
Base-Backbone interact. energy: -0.279
local terms energy: -46.193017
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -84.583654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.583654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.583654 (E_RNA)
where:
Base-Base interactions energy: -37.069
where: short stacking energy: -33.826
Base-Backbone interact. energy: 1.079
local terms energy: -48.593923
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.990
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: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -75.702802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.702802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.702802 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -29.233
Base-Backbone interact. energy: -1.292
local terms energy: -45.177480
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -167.378416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.378416 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -57.307
Base-Backbone interact. energy: 0.996
local terms energy: -62.793258
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -187.494137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.494137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.494137 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -53.403
Base-Backbone interact. energy: -1.497
local terms energy: -62.184949
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.032
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: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -172.805299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.805299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.805299 (E_RNA)
where:
Base-Base interactions energy: -103.786
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.075
local terms energy: -68.944259
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -140.908453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.908453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.908453 (E_RNA)
where:
Base-Base interactions energy: -89.314
where: short stacking energy: -41.121
Base-Backbone interact. energy: -0.334
local terms energy: -51.260820
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -140.702057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.702057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.702057 (E_RNA)
where:
Base-Base interactions energy: -83.510
where: short stacking energy: -46.681
Base-Backbone interact. energy: -0.167
local terms energy: -57.024934
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -82.236751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236751 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -23.738
Base-Backbone interact. energy: -0.154
local terms energy: -45.453463
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -0.102
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: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -78.327140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.327140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.327140 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -6.316
Base-Backbone interact. energy: -0.212
local terms energy: -42.857674
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: 5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -74.502515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.502515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.502515 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -18.514
Base-Backbone interact. energy: 0.880
local terms energy: -44.234664
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -5.135
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -73.602193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.602193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.602193 (E_RNA)
where:
Base-Base interactions energy: -27.439
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.400
local terms energy: -45.763430
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -7.434
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: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -68.141302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.141302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.141302 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -18.381
Base-Backbone interact. energy: -0.267
local terms energy: -40.524315
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -185.994012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.994012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.994012 (E_RNA)
where:
Base-Base interactions energy: -115.394
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.128
local terms energy: -70.471857
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -180.352282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.352282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.352282 (E_RNA)
where:
Base-Base interactions energy: -115.910
where: short stacking energy: -47.947
Base-Backbone interact. energy: -1.033
local terms energy: -63.409547
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.181
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: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -172.694720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.694720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694720 (E_RNA)
where:
Base-Base interactions energy: -111.340
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.318
local terms energy: -61.036577
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -157.478361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.478361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.478361 (E_RNA)
where:
Base-Base interactions energy: -96.229
where: short stacking energy: -47.738
Base-Backbone interact. energy: -0.589
local terms energy: -60.660500
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -15.243
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: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -132.981043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.981043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.981043 (E_RNA)
where:
Base-Base interactions energy: -81.225
where: short stacking energy: -36.878
Base-Backbone interact. energy: 0.006
local terms energy: -51.761549
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -95.339924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339924 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -40.875
Base-Backbone interact. energy: -0.053
local terms energy: -54.411933
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -82.985630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985630 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.237
local terms energy: -51.010796
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -2.866
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -79.414942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414942 (E_RNA)
where:
Base-Base interactions energy: -32.720
where: short stacking energy: -26.434
Base-Backbone interact. energy: -0.014
local terms energy: -46.681324
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -6.064
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: 125
Temperature: 1.300000
Total energy: -68.955313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.955313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.955313 (E_RNA)
where:
Base-Base interactions energy: -22.754
where: short stacking energy: -18.266
Base-Backbone interact. energy: -0.572
local terms energy: -45.630066
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -4.173
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -70.853443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.853443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.853443 (E_RNA)
where:
Base-Base interactions energy: -28.737
where: short stacking energy: -20.256
Base-Backbone interact. energy: -0.165
local terms energy: -41.951623
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -179.237129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.237129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.237129 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.315
local terms energy: -58.985717
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -177.363647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.363647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.363647 (E_RNA)
where:
Base-Base interactions energy: -110.261
where: short stacking energy: -48.785
Base-Backbone interact. energy: -0.495
local terms energy: -66.607913
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -161.156339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.156339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.156339 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.664
local terms energy: -59.610641
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -169.757007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.757007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.757007 (E_RNA)
where:
Base-Base interactions energy: -101.713
where: short stacking energy: -50.257
Base-Backbone interact. energy: -0.001
local terms energy: -68.043033
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -99.175034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175034 (E_RNA)
where:
Base-Base interactions energy: -51.753
where: short stacking energy: -44.711
Base-Backbone interact. energy: 0.232
local terms energy: -47.653482
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -11.625
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: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -133.221379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.221379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.221379 (E_RNA)
where:
Base-Base interactions energy: -86.580
where: short stacking energy: -22.686
Base-Backbone interact. energy: -1.333
local terms energy: -45.308125
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -80.353457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.353457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.353457 (E_RNA)
where:
Base-Base interactions energy: -34.257
where: short stacking energy: -21.675
Base-Backbone interact. energy: -0.286
local terms energy: -45.810507
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -76.349112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.349112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.349112 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.146
local terms energy: -42.926008
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -75.655138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.655138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.655138 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -15.751
Base-Backbone interact. energy: 0.212
local terms energy: -43.934051
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: 4.738
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: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -74.428745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.428745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.428745 (E_RNA)
where:
Base-Base interactions energy: -39.646
where: short stacking energy: -17.973
Base-Backbone interact. energy: 0.411
local terms energy: -35.193365
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -7.813
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -189.225071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.225071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.225071 (E_RNA)
where:
Base-Base interactions energy: -122.552
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.354
local terms energy: -66.318318
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.699
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: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -176.106520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.106520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.106520 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -56.369
Base-Backbone interact. energy: -1.096
local terms energy: -62.258776
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -179.410188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.410188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.410188 (E_RNA)
where:
Base-Base interactions energy: -116.051
where: short stacking energy: -55.383
Base-Backbone interact. energy: -0.101
local terms energy: -63.257720
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.047
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: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -159.189988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.189988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.189988 (E_RNA)
where:
Base-Base interactions energy: -89.570
where: short stacking energy: -45.509
Base-Backbone interact. energy: -0.015
local terms energy: -69.604597
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -15.356
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -91.645539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.645539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.645539 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.014
local terms energy: -56.478074
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -125.248788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.248788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.248788 (E_RNA)
where:
Base-Base interactions energy: -70.826
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.768
local terms energy: -53.654894
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -93.303128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303128 (E_RNA)
where:
Base-Base interactions energy: -37.377
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.002
local terms energy: -55.925055
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -10.229
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: 127
Temperature: 1.250000
Total energy: -70.724896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.724896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.724896 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.143
local terms energy: -32.115486
where:
bonds (distance) C4'-P energy: -5.672
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: 1.054
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: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -74.496057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.496057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.496057 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -22.895
Base-Backbone interact. energy: 0.178
local terms energy: -41.581646
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -67.419941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.419941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.419941 (E_RNA)
where:
Base-Base interactions energy: -17.704
where: short stacking energy: -16.520
Base-Backbone interact. energy: -0.383
local terms energy: -49.332916
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -191.962038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.962038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962038 (E_RNA)
where:
Base-Base interactions energy: -120.217
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.091
local terms energy: -71.654063
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -15.228
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: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -181.801424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.801424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.801424 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.005
local terms energy: -60.907723
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -170.641350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.641350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.641350 (E_RNA)
where:
Base-Base interactions energy: -109.973
where: short stacking energy: -42.967
Base-Backbone interact. energy: -0.201
local terms energy: -60.468020
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -12.232
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: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -163.794268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.794268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.794268 (E_RNA)
where:
Base-Base interactions energy: -98.626
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.697
local terms energy: -64.471486
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -95.156818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.156818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.156818 (E_RNA)
where:
Base-Base interactions energy: -54.780
where: short stacking energy: -27.436
Base-Backbone interact. energy: 1.169
local terms energy: -41.545162
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -104.637046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.637046 (E_RNA)
where:
Base-Base interactions energy: -55.992
where: short stacking energy: -35.564
Base-Backbone interact. energy: -0.008
local terms energy: -48.637609
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -77.648857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.648857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.648857 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.121
local terms energy: -44.595556
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -73.100784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.100784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.100784 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.184
local terms energy: -42.638185
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -93.344388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.344388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.344388 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -23.494
Base-Backbone interact. energy: -0.377
local terms energy: -51.087443
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -73.725898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.725898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.725898 (E_RNA)
where:
Base-Base interactions energy: -30.584
where: short stacking energy: -28.645
Base-Backbone interact. energy: -0.133
local terms energy: -43.008809
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -185.285558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.285558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.285558 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.449
local terms energy: -69.153492
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -9.784
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: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -178.253596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253596 (E_RNA)
where:
Base-Base interactions energy: -113.333
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.336
local terms energy: -64.584210
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.071
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: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -175.599820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.599820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.599820 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -53.051
Base-Backbone interact. energy: -1.014
local terms energy: -63.447247
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -106.955394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.955394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.955394 (E_RNA)
where:
Base-Base interactions energy: -49.356
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.041
local terms energy: -57.557725
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -158.683142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.683142 (E_RNA)
where:
Base-Base interactions energy: -101.039
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.314
local terms energy: -57.329630
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -96.985442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.985442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.985442 (E_RNA)
where:
Base-Base interactions energy: -49.138
where: short stacking energy: -30.941
Base-Backbone interact. energy: 0.202
local terms energy: -48.049093
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -90.098522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.098522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.098522 (E_RNA)
where:
Base-Base interactions energy: -40.568
where: short stacking energy: -17.919
Base-Backbone interact. energy: -0.091
local terms energy: -49.439459
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -2.346
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: 129
Temperature: 1.250000
Total energy: -67.789342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.789342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.789342 (E_RNA)
where:
Base-Base interactions energy: -21.592
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.166
local terms energy: -46.030780
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -4.723
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: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -73.031661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.031661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.031661 (E_RNA)
where:
Base-Base interactions energy: -23.089
where: short stacking energy: -23.089
Base-Backbone interact. energy: 2.149
local terms energy: -52.092011
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -65.215964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.215964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.215964 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -20.071
Base-Backbone interact. energy: -0.209
local terms energy: -39.532240
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -10.716
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: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -188.991670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.991670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.991670 (E_RNA)
where:
Base-Base interactions energy: -130.962
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.150
local terms energy: -57.879652
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -183.116989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.116989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.116989 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -54.640
Base-Backbone interact. energy: -0.207
local terms energy: -63.033867
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -169.921858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.921858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.921858 (E_RNA)
where:
Base-Base interactions energy: -108.634
where: short stacking energy: -45.094
Base-Backbone interact. energy: -0.221
local terms energy: -61.066777
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -96.890826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.890826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.890826 (E_RNA)
where:
Base-Base interactions energy: -44.942
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.004
local terms energy: -51.945037
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -159.486747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.486747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.486747 (E_RNA)
where:
Base-Base interactions energy: -93.205
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.064
local terms energy: -66.217186
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -87.642208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.642208 (E_RNA)
where:
Base-Base interactions energy: -33.728
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.009
local terms energy: -53.905366
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.994
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -114.240989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.240989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.240989 (E_RNA)
where:
Base-Base interactions energy: -60.054
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.135
local terms energy: -54.051516
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -8.614
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -5.839
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: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -76.126793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.126793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.126793 (E_RNA)
where:
Base-Base interactions energy: -25.942
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.114
local terms energy: -50.070899
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -80.701682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701682 (E_RNA)
where:
Base-Base interactions energy: -36.319
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.108
local terms energy: -44.274192
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -6.589
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: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -90.995929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995929 (E_RNA)
where:
Base-Base interactions energy: -35.309
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.063
local terms energy: -55.623939
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -4.493
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -193.086973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.086973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.086973 (E_RNA)
where:
Base-Base interactions energy: -127.339
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.300
local terms energy: -65.447765
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -182.256524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.256524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.256524 (E_RNA)
where:
Base-Base interactions energy: -116.909
where: short stacking energy: -60.513
Base-Backbone interact. energy: -1.415
local terms energy: -63.932624
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -170.725882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.725882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.725882 (E_RNA)
where:
Base-Base interactions energy: -106.080
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.109
local terms energy: -64.537074
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -13.327
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: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -166.399069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.399069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.399069 (E_RNA)
where:
Base-Base interactions energy: -111.732
where: short stacking energy: -53.277
Base-Backbone interact. energy: -0.282
local terms energy: -54.385641
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -85.857224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.857224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.857224 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -24.385
Base-Backbone interact. energy: -0.331
local terms energy: -47.807283
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -120.466814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.466814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.466814 (E_RNA)
where:
Base-Base interactions energy: -68.069
where: short stacking energy: -38.851
Base-Backbone interact. energy: -1.267
local terms energy: -51.131398
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -114.269186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.269186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.269186 (E_RNA)
where:
Base-Base interactions energy: -56.556
where: short stacking energy: -33.334
Base-Backbone interact. energy: 0.091
local terms energy: -57.803890
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -93.611970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.611970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.611970 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -26.983
Base-Backbone interact. energy: -0.364
local terms energy: -47.861916
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -6.019
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: 131
Temperature: 1.300000
Total energy: -107.973277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.973277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.973277 (E_RNA)
where:
Base-Base interactions energy: -66.390
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.589
local terms energy: -40.993746
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -67.383261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.383261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.383261 (E_RNA)
where:
Base-Base interactions energy: -19.610
where: short stacking energy: -13.953
Base-Backbone interact. energy: 0.274
local terms energy: -48.047586
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -190.253908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253908 (E_RNA)
where:
Base-Base interactions energy: -133.423
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.583
local terms energy: -56.247501
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -170.594067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.594067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.594067 (E_RNA)
where:
Base-Base interactions energy: -99.716
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.308
local terms energy: -70.569929
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -176.823432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.823432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.823432 (E_RNA)
where:
Base-Base interactions energy: -109.137
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.062
local terms energy: -67.624437
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -163.464171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.464171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.464171 (E_RNA)
where:
Base-Base interactions energy: -107.031
where: short stacking energy: -50.497
Base-Backbone interact. energy: -0.079
local terms energy: -56.354260
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -113.802640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.802640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.802640 (E_RNA)
where:
Base-Base interactions energy: -61.080
where: short stacking energy: -37.175
Base-Backbone interact. energy: -0.380
local terms energy: -52.342668
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -8.531
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: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -97.418288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418288 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -36.821
Base-Backbone interact. energy: 0.576
local terms energy: -51.339457
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -84.704519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704519 (E_RNA)
where:
Base-Base interactions energy: -33.823
where: short stacking energy: -32.406
Base-Backbone interact. energy: 0.005
local terms energy: -50.885801
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -76.535520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.535520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.535520 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -19.847
Base-Backbone interact. energy: -0.212
local terms energy: -40.247476
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -4.839
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: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -84.476749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476749 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.293
local terms energy: -44.056688
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -70.954259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.954259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.954259 (E_RNA)
where:
Base-Base interactions energy: -21.528
where: short stacking energy: -11.387
Base-Backbone interact. energy: -0.355
local terms energy: -49.071127
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -191.917610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.917610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.917610 (E_RNA)
where:
Base-Base interactions energy: -127.855
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.245
local terms energy: -63.817244
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -183.812414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.812414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.812414 (E_RNA)
where:
Base-Base interactions energy: -116.327
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.406
local terms energy: -67.079303
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -173.734608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.734608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.734608 (E_RNA)
where:
Base-Base interactions energy: -110.578
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.001
local terms energy: -63.155901
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -6.932
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -175.575193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.575193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.575193 (E_RNA)
where:
Base-Base interactions energy: -110.829
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.596
local terms energy: -64.150024
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -18.225
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: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -99.475485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.475485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.475485 (E_RNA)
where:
Base-Base interactions energy: -46.839
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.731
local terms energy: -51.904889
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -83.762681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762681 (E_RNA)
where:
Base-Base interactions energy: -27.265
where: short stacking energy: -27.036
Base-Backbone interact. energy: -0.084
local terms energy: -56.413757
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -5.127
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: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -81.338809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.338809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.338809 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.006
local terms energy: -48.661016
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -8.195
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: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -101.113464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.113464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.113464 (E_RNA)
where:
Base-Base interactions energy: -48.451
where: short stacking energy: -33.442
Base-Backbone interact. energy: 2.510
local terms energy: -55.172888
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -68.377047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.377047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.377047 (E_RNA)
where:
Base-Base interactions energy: -23.768
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.019
local terms energy: -44.590581
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -69.661101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.661101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.661101 (E_RNA)
where:
Base-Base interactions energy: -26.408
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.010
local terms energy: -43.243918
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -186.166038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166038 (E_RNA)
where:
Base-Base interactions energy: -117.189
where: short stacking energy: -52.266
Base-Backbone interact. energy: -0.633
local terms energy: -68.344668
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -184.256978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.256978 (E_RNA)
where:
Base-Base interactions energy: -118.301
where: short stacking energy: -51.289
Base-Backbone interact. energy: -1.145
local terms energy: -64.811788
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -178.599231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.599231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.599231 (E_RNA)
where:
Base-Base interactions energy: -109.531
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.594
local terms energy: -68.474426
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -164.232644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.232644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.232644 (E_RNA)
where:
Base-Base interactions energy: -98.910
where: short stacking energy: -48.158
Base-Backbone interact. energy: -1.272
local terms energy: -64.049677
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -15.140
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: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -87.031733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.031733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.031733 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.031
local terms energy: -50.035587
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -83.522975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.522975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.522975 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.033
local terms energy: -46.074493
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -3.701
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: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -76.776851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776851 (E_RNA)
where:
Base-Base interactions energy: -31.167
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.162
local terms energy: -45.448298
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -78.962036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.962036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.962036 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.122
local terms energy: -45.490463
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -75.522200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.522200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.522200 (E_RNA)
where:
Base-Base interactions energy: -23.031
where: short stacking energy: -20.046
Base-Backbone interact. energy: -1.338
local terms energy: -51.153698
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -69.812975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.812975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.812975 (E_RNA)
where:
Base-Base interactions energy: -26.365
where: short stacking energy: -7.658
Base-Backbone interact. energy: -0.034
local terms energy: -43.413988
where:
bonds (distance) C4'-P energy: -8.073
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -186.276263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.276263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.276263 (E_RNA)
where:
Base-Base interactions energy: -123.142
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.071
local terms energy: -63.063524
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -183.046874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.046874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.046874 (E_RNA)
where:
Base-Base interactions energy: -117.887
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.002
local terms energy: -65.157782
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -177.884143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.884143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.884143 (E_RNA)
where:
Base-Base interactions energy: -113.994
where: short stacking energy: -51.705
Base-Backbone interact. energy: -0.121
local terms energy: -63.769249
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -162.892353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.892353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.892353 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -50.810
Base-Backbone interact. energy: -2.384
local terms energy: -65.211483
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -126.818456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.818456 (E_RNA)
where:
Base-Base interactions energy: -70.367
where: short stacking energy: -38.358
Base-Backbone interact. energy: 0.283
local terms energy: -56.734490
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -87.327490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327490 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -28.730
Base-Backbone interact. energy: 1.654
local terms energy: -50.852488
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -77.256508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.256508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.256508 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -19.176
Base-Backbone interact. energy: -0.301
local terms energy: -48.227924
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.048
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: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -72.236306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.236306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.236306 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.070
local terms energy: -44.002220
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.760
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -76.454769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.454769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.454769 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -22.509
Base-Backbone interact. energy: -0.244
local terms energy: -47.945611
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -69.106025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106025 (E_RNA)
where:
Base-Base interactions energy: -20.775
where: short stacking energy: -18.899
Base-Backbone interact. energy: -0.057
local terms energy: -48.273928
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -191.163197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.163197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.163197 (E_RNA)
where:
Base-Base interactions energy: -125.923
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.708
local terms energy: -64.531991
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -179.227617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227617 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -60.927
Base-Backbone interact. energy: -1.134
local terms energy: -64.353684
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -167.799978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.799978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.799978 (E_RNA)
where:
Base-Base interactions energy: -105.256
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.092
local terms energy: -62.452021
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -162.819292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.819292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.819292 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.157
local terms energy: -64.798656
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -142.003760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.003760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.003760 (E_RNA)
where:
Base-Base interactions energy: -83.120
where: short stacking energy: -48.240
Base-Backbone interact. energy: -0.036
local terms energy: -58.847606
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -11.724
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -100.128701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.128701 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.061
local terms energy: -50.734198
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -81.589477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.589477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.589477 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -16.395
Base-Backbone interact. energy: -0.399
local terms energy: -47.443816
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -73.199183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.199183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.199183 (E_RNA)
where:
Base-Base interactions energy: -30.121
where: short stacking energy: -24.144
Base-Backbone interact. energy: -0.126
local terms energy: -42.952503
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -68.682818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.682818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.682818 (E_RNA)
where:
Base-Base interactions energy: -24.723
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.118
local terms energy: -43.841812
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -6.175
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -73.283282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.283282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.283282 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -25.323
Base-Backbone interact. energy: 0.925
local terms energy: -47.775455
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -10.451
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: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -189.045511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.045511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.045511 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.035
local terms energy: -64.968148
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -176.172735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172735 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.004
local terms energy: -62.083954
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -171.216304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.216304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.216304 (E_RNA)
where:
Base-Base interactions energy: -106.004
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.001
local terms energy: -65.211018
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -163.027779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.027779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.027779 (E_RNA)
where:
Base-Base interactions energy: -97.417
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.502
local terms energy: -65.108510
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -14.826
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: 137
Temperature: 1.100000
Total energy: -137.505832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.505832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.505832 (E_RNA)
where:
Base-Base interactions energy: -90.062
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.365
local terms energy: -47.079445
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -8.165
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: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -108.474856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.474856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.474856 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.095
local terms energy: -55.648744
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -93.260663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260663 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -29.062
Base-Backbone interact. energy: 3.403
local terms energy: -57.053969
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.380
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -80.190350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190350 (E_RNA)
where:
Base-Base interactions energy: -41.748
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.039
local terms energy: -38.403302
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -76.803954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.803954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.803954 (E_RNA)
where:
Base-Base interactions energy: -35.452
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.156
local terms energy: -41.195516
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -70.203427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.203427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.203427 (E_RNA)
where:
Base-Base interactions energy: -21.160
where: short stacking energy: -11.522
Base-Backbone interact. energy: -0.657
local terms energy: -48.386870
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -197.587511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587511 (E_RNA)
where:
Base-Base interactions energy: -131.576
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.078
local terms energy: -65.934431
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -173.198007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.198007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.198007 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -54.946
Base-Backbone interact. energy: -0.190
local terms energy: -60.593110
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -181.243098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.243098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.243098 (E_RNA)
where:
Base-Base interactions energy: -124.264
where: short stacking energy: -46.248
Base-Backbone interact. energy: -1.182
local terms energy: -55.796427
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -171.805128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.805128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.805128 (E_RNA)
where:
Base-Base interactions energy: -109.217
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.227
local terms energy: -62.360916
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.901
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -143.066819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.066819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.066819 (E_RNA)
where:
Base-Base interactions energy: -86.094
where: short stacking energy: -49.481
Base-Backbone interact. energy: -0.298
local terms energy: -56.674174
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -12.176
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -104.654082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.654082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.654082 (E_RNA)
where:
Base-Base interactions energy: -56.076
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.212
local terms energy: -48.365765
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -0.935
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: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -90.703057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.703057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.703057 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -21.943
Base-Backbone interact. energy: -0.411
local terms energy: -41.055832
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.692
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: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -81.350805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350805 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -25.168
Base-Backbone interact. energy: -0.047
local terms energy: -38.087305
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -70.065773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.065773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.065773 (E_RNA)
where:
Base-Base interactions energy: -24.560
where: short stacking energy: -24.560
Base-Backbone interact. energy: -0.132
local terms energy: -45.373208
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -8.169
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -70.765918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.765918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.765918 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -24.108
Base-Backbone interact. energy: -0.461
local terms energy: -39.014955
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -197.831141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.831141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.831141 (E_RNA)
where:
Base-Base interactions energy: -134.798
where: short stacking energy: -51.005
Base-Backbone interact. energy: -1.035
local terms energy: -61.998653
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -11.909
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: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -176.721455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.721455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.721455 (E_RNA)
where:
Base-Base interactions energy: -111.881
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.071
local terms energy: -64.769061
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -191.909912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.909912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.909912 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.713
local terms energy: -58.521465
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -157.921818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.921818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.921818 (E_RNA)
where:
Base-Base interactions energy: -101.607
where: short stacking energy: -47.704
Base-Backbone interact. energy: 0.555
local terms energy: -56.869506
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -131.219401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.219401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.219401 (E_RNA)
where:
Base-Base interactions energy: -74.651
where: short stacking energy: -36.777
Base-Backbone interact. energy: 1.406
local terms energy: -57.974763
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -74.472551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.472551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.472551 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -17.932
Base-Backbone interact. energy: -0.171
local terms energy: -42.599315
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -117.210662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.210662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.210662 (E_RNA)
where:
Base-Base interactions energy: -74.704
where: short stacking energy: -31.022
Base-Backbone interact. energy: -1.006
local terms energy: -41.500084
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -2.170
tors. eta vs tors. theta energy: -7.787
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: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.769954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.769954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.769954 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -24.903
Base-Backbone interact. energy: 0.362
local terms energy: -49.562507
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -8.761
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: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -76.016763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.016763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.016763 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.185
local terms energy: -46.635668
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -72.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.337807 (E_RNA)
where:
Base-Base interactions energy: -28.348
where: short stacking energy: -18.849
Base-Backbone interact. energy: -0.069
local terms energy: -43.921025
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -6.111
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -178.782493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.782493 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.006
local terms energy: -71.248491
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -193.771048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.771048 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.542
local terms energy: -70.250801
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -174.135339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.135339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.135339 (E_RNA)
where:
Base-Base interactions energy: -113.558
where: short stacking energy: -44.008
Base-Backbone interact. energy: -0.928
local terms energy: -59.648967
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -7.996
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: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -161.244066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.244066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.244066 (E_RNA)
where:
Base-Base interactions energy: -106.809
where: short stacking energy: -57.825
Base-Backbone interact. energy: -0.059
local terms energy: -54.376177
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -133.908785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.908785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.908785 (E_RNA)
where:
Base-Base interactions energy: -75.790
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.005
local terms energy: -58.114003
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -99.553897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.553897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.553897 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.014
local terms energy: -59.003053
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -130.803414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.803414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.803414 (E_RNA)
where:
Base-Base interactions energy: -81.260
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.102
local terms energy: -49.441610
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -67.326588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.326588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.326588 (E_RNA)
where:
Base-Base interactions energy: -22.793
where: short stacking energy: -18.027
Base-Backbone interact. energy: -1.055
local terms energy: -43.479091
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -0.488
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: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -74.338486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.338486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.338486 (E_RNA)
where:
Base-Base interactions energy: -34.865
where: short stacking energy: -28.416
Base-Backbone interact. energy: 0.735
local terms energy: -40.208814
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -74.448367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.448367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.448367 (E_RNA)
where:
Base-Base interactions energy: -24.675
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.004
local terms energy: -49.768707
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -183.585518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.585518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585518 (E_RNA)
where:
Base-Base interactions energy: -116.441
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.008
local terms energy: -67.136672
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -186.079194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.079194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.079194 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -48.828
Base-Backbone interact. energy: -0.109
local terms energy: -61.883156
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -7.032
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: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -183.368298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.368298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.368298 (E_RNA)
where:
Base-Base interactions energy: -128.386
where: short stacking energy: -42.772
Base-Backbone interact. energy: -0.571
local terms energy: -54.411136
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -166.358645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.358645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358645 (E_RNA)
where:
Base-Base interactions energy: -103.552
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.573
local terms energy: -62.233211
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -142.308706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.308706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.308706 (E_RNA)
where:
Base-Base interactions energy: -87.882
where: short stacking energy: -46.379
Base-Backbone interact. energy: -0.114
local terms energy: -54.312806
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -126.714551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.714551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.714551 (E_RNA)
where:
Base-Base interactions energy: -68.477
where: short stacking energy: -38.936
Base-Backbone interact. energy: -0.003
local terms energy: -58.234399
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.574
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -84.308928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.308928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.308928 (E_RNA)
where:
Base-Base interactions energy: -38.989
where: short stacking energy: -20.170
Base-Backbone interact. energy: 1.217
local terms energy: -46.536652
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -76.034150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.034150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.034150 (E_RNA)
where:
Base-Base interactions energy: -30.574
where: short stacking energy: -25.364
Base-Backbone interact. energy: -0.681
local terms energy: -44.778953
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -2.596
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: 9, replica: 2
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -67.116292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.116292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.116292 (E_RNA)
where:
Base-Base interactions energy: -27.982
where: short stacking energy: -18.510
Base-Backbone interact. energy: -0.121
local terms energy: -39.013950
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -68.839070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.839070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.839070 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.110
local terms energy: -41.501987
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -184.871424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.871424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.871424 (E_RNA)
where:
Base-Base interactions energy: -117.654
where: short stacking energy: -51.999
Base-Backbone interact. energy: -0.196
local terms energy: -67.020621
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -184.420505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.420505 (E_RNA)
where:
Base-Base interactions energy: -123.856
where: short stacking energy: -52.191
Base-Backbone interact. energy: -0.465
local terms energy: -60.099328
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -173.005621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.005621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.005621 (E_RNA)
where:
Base-Base interactions energy: -106.429
where: short stacking energy: -53.530
Base-Backbone interact. energy: -1.418
local terms energy: -65.157865
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -11.802
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: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -173.401012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.401012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.401012 (E_RNA)
where:
Base-Base interactions energy: -120.849
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.346
local terms energy: -52.205307
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -131.352481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.352481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.352481 (E_RNA)
where:
Base-Base interactions energy: -75.183
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.062
local terms energy: -56.107971
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -129.743024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.743024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.743024 (E_RNA)
where:
Base-Base interactions energy: -82.521
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.188
local terms energy: -47.034454
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -80.064627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.064627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.064627 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -25.843
Base-Backbone interact. energy: -0.264
local terms energy: -53.957323
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -107.983387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.983387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.983387 (E_RNA)
where:
Base-Base interactions energy: -61.209
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.192
local terms energy: -46.582244
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -71.671393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.671393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.671393 (E_RNA)
where:
Base-Base interactions energy: -20.463
where: short stacking energy: -19.827
Base-Backbone interact. energy: -0.018
local terms energy: -51.190262
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -76.054769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.054769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.054769 (E_RNA)
where:
Base-Base interactions energy: -30.794
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.254
local terms energy: -45.007063
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -188.269211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.269211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.269211 (E_RNA)
where:
Base-Base interactions energy: -120.402
where: short stacking energy: -51.412
Base-Backbone interact. energy: -1.030
local terms energy: -66.837342
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -168.876259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876259 (E_RNA)
where:
Base-Base interactions energy: -101.878
where: short stacking energy: -52.738
Base-Backbone interact. energy: -0.114
local terms energy: -66.884977
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -170.562228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.562228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.562228 (E_RNA)
where:
Base-Base interactions energy: -104.351
where: short stacking energy: -45.440
Base-Backbone interact. energy: -0.099
local terms energy: -66.112190
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -169.768294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.768294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.768294 (E_RNA)
where:
Base-Base interactions energy: -111.369
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.120
local terms energy: -58.279400
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -120.164075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.164075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.164075 (E_RNA)
where:
Base-Base interactions energy: -70.588
where: short stacking energy: -29.034
Base-Backbone interact. energy: -1.533
local terms energy: -48.043422
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -83.429195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.429195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.429195 (E_RNA)
where:
Base-Base interactions energy: -29.669
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.298
local terms energy: -53.462337
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -9.764
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -112.624775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.624775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.624775 (E_RNA)
where:
Base-Base interactions energy: -60.004
where: short stacking energy: -28.900
Base-Backbone interact. energy: -0.082
local terms energy: -52.538914
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -8.925
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -7.884
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: 143
Temperature: 1.250000
Total energy: -79.458876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458876 (E_RNA)
where:
Base-Base interactions energy: -28.301
where: short stacking energy: -27.137
Base-Backbone interact. energy: -0.313
local terms energy: -50.844417
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -7.345
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: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.136506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136506 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -18.406
Base-Backbone interact. energy: -0.037
local terms energy: -50.562207
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.738110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.738110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.738110 (E_RNA)
where:
Base-Base interactions energy: -30.997
where: short stacking energy: -11.177
Base-Backbone interact. energy: 0.633
local terms energy: -44.373775
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -2.602
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: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -177.177796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.177796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.177796 (E_RNA)
where:
Base-Base interactions energy: -104.226
where: short stacking energy: -50.217
Base-Backbone interact. energy: -0.659
local terms energy: -72.292727
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -177.262908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.262908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.262908 (E_RNA)
where:
Base-Base interactions energy: -106.719
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.092
local terms energy: -70.451527
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -170.785384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.785384 (E_RNA)
where:
Base-Base interactions energy: -110.263
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.231
local terms energy: -60.290915
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -164.758331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.758331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.758331 (E_RNA)
where:
Base-Base interactions energy: -107.333
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.311
local terms energy: -57.113996
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -12.398
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: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -93.703778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703778 (E_RNA)
where:
Base-Base interactions energy: -50.853
where: short stacking energy: -30.597
Base-Backbone interact. energy: 0.508
local terms energy: -43.358863
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -12.440
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: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -129.560258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.560258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.560258 (E_RNA)
where:
Base-Base interactions energy: -67.255
where: short stacking energy: -27.288
Base-Backbone interact. energy: 2.221
local terms energy: -64.526426
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -117.984003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.984003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.984003 (E_RNA)
where:
Base-Base interactions energy: -67.685
where: short stacking energy: -36.015
Base-Backbone interact. energy: -0.611
local terms energy: -49.688482
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -77.558946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.558946 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.113
local terms energy: -46.246552
where:
bonds (distance) C4'-P energy: -4.344
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -76.009473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009473 (E_RNA)
where:
Base-Base interactions energy: -27.083
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.069
local terms energy: -48.857334
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -78.564778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564778 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.048
local terms energy: -48.130439
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -188.964989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964989 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.597
local terms energy: -71.129529
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.115
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: 145
Temperature: 0.950000
Total energy: -172.180385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180385 (E_RNA)
where:
Base-Base interactions energy: -111.585
where: short stacking energy: -52.471
Base-Backbone interact. energy: 0.036
local terms energy: -60.631036
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -173.460092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.460092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.460092 (E_RNA)
where:
Base-Base interactions energy: -111.523
where: short stacking energy: -48.909
Base-Backbone interact. energy: -0.017
local terms energy: -61.919933
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -163.416342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.416342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.416342 (E_RNA)
where:
Base-Base interactions energy: -97.655
where: short stacking energy: -48.434
Base-Backbone interact. energy: -0.334
local terms energy: -65.427021
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -105.595821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.595821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.595821 (E_RNA)
where:
Base-Base interactions energy: -52.795
where: short stacking energy: -39.890
Base-Backbone interact. energy: 0.160
local terms energy: -52.960458
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -98.182889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182889 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.035
local terms energy: -51.367561
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -124.599139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.599139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.599139 (E_RNA)
where:
Base-Base interactions energy: -67.128
where: short stacking energy: -27.773
Base-Backbone interact. energy: -1.035
local terms energy: -56.435771
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -78.141961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.141961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.141961 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -34.250
Base-Backbone interact. energy: -0.000
local terms energy: -43.892094
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -75.907228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.907228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.907228 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -20.006
Base-Backbone interact. energy: -0.193
local terms energy: -48.203579
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -71.628705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.628705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.628705 (E_RNA)
where:
Base-Base interactions energy: -22.001
where: short stacking energy: -22.001
Base-Backbone interact. energy: 0.094
local terms energy: -49.722068
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -10.721
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: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -180.675549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.675549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.675549 (E_RNA)
where:
Base-Base interactions energy: -106.813
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.695
local terms energy: -73.167574
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.681
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: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -171.119896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.119896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.119896 (E_RNA)
where:
Base-Base interactions energy: -106.108
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.209
local terms energy: -64.802965
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -164.785672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.785672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.785672 (E_RNA)
where:
Base-Base interactions energy: -106.613
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.105
local terms energy: -58.067322
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -163.439471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.439471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.439471 (E_RNA)
where:
Base-Base interactions energy: -99.047
where: short stacking energy: -43.947
Base-Backbone interact. energy: -0.000
local terms energy: -64.392221
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -124.277136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.277136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.277136 (E_RNA)
where:
Base-Base interactions energy: -64.084
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.127
local terms energy: -60.066811
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -86.921302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.921302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.921302 (E_RNA)
where:
Base-Base interactions energy: -38.411
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.219
local terms energy: -48.290760
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -7.514
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: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -102.788605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.788605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.788605 (E_RNA)
where:
Base-Base interactions energy: -57.320
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.055
local terms energy: -45.414325
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -122.698540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.698540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.698540 (E_RNA)
where:
Base-Base interactions energy: -66.239
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.500
local terms energy: -55.959122
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -7.884
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: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -79.512298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512298 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.110
local terms energy: -47.379518
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -5.081
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -76.458897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.458897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.458897 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.004
local terms energy: -41.601252
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -4.213
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -3.224
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -175.935742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.935742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.935742 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.134
local terms energy: -59.882115
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -177.760905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.760905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.760905 (E_RNA)
where:
Base-Base interactions energy: -110.113
where: short stacking energy: -54.595
Base-Backbone interact. energy: -0.217
local terms energy: -67.431231
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -17.779
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: 147
Temperature: 1.000000
Total energy: -173.645798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.645798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.645798 (E_RNA)
where:
Base-Base interactions energy: -112.631
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.155
local terms energy: -60.859434
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -158.225375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.225375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.225375 (E_RNA)
where:
Base-Base interactions energy: -100.093
where: short stacking energy: -37.812
Base-Backbone interact. energy: 0.018
local terms energy: -58.150773
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -126.136222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.136222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.136222 (E_RNA)
where:
Base-Base interactions energy: -70.674
where: short stacking energy: -44.120
Base-Backbone interact. energy: 0.605
local terms energy: -56.066576
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -10.593
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: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -119.041588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.041588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.041588 (E_RNA)
where:
Base-Base interactions energy: -72.334
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.116
local terms energy: -46.591571
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -76.605779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.605779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.605779 (E_RNA)
where:
Base-Base interactions energy: -27.792
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.068
local terms energy: -48.745151
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -106.147368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.147368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.147368 (E_RNA)
where:
Base-Base interactions energy: -57.878
where: short stacking energy: -16.759
Base-Backbone interact. energy: 0.382
local terms energy: -48.651356
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -71.077067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.077067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.077067 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.294
local terms energy: -37.397808
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -66.931520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.931520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.931520 (E_RNA)
where:
Base-Base interactions energy: -23.627
where: short stacking energy: -23.627
Base-Backbone interact. energy: -0.069
local terms energy: -43.235778
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -182.928736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.928736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.928736 (E_RNA)
where:
Base-Base interactions energy: -120.100
where: short stacking energy: -52.184
Base-Backbone interact. energy: 0.024
local terms energy: -62.852972
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -177.275500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.275500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.275500 (E_RNA)
where:
Base-Base interactions energy: -114.904
where: short stacking energy: -49.888
Base-Backbone interact. energy: -0.824
local terms energy: -61.547598
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -180.037863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.037863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.037863 (E_RNA)
where:
Base-Base interactions energy: -113.211
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.001
local terms energy: -66.825825
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -164.229746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.229746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.229746 (E_RNA)
where:
Base-Base interactions energy: -107.466
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.523
local terms energy: -56.240793
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -8.492
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: 148
Temperature: 1.100000
Total energy: -136.139870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.139870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.139870 (E_RNA)
where:
Base-Base interactions energy: -75.054
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.130
local terms energy: -60.956530
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -107.886293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.886293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.886293 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.058
local terms energy: -60.129023
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -10.367
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: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -81.495130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.495130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.495130 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -11.568
Base-Backbone interact. energy: -0.383
local terms energy: -44.151501
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -83.505886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.505886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.505886 (E_RNA)
where:
Base-Base interactions energy: -34.502
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.039
local terms energy: -48.965316
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -82.316231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.316231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.316231 (E_RNA)
where:
Base-Base interactions energy: -36.930
where: short stacking energy: -25.122
Base-Backbone interact. energy: -0.295
local terms energy: -45.090615
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.477
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: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -76.957945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.957945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.957945 (E_RNA)
where:
Base-Base interactions energy: -43.843
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.454
local terms energy: -32.660302
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -177.029125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.029125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.029125 (E_RNA)
where:
Base-Base interactions energy: -107.903
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.001
local terms energy: -69.124930
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -181.505181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505181 (E_RNA)
where:
Base-Base interactions energy: -107.779
where: short stacking energy: -57.634
Base-Backbone interact. energy: 0.100
local terms energy: -73.826232
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -172.584935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584935 (E_RNA)
where:
Base-Base interactions energy: -109.072
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.112
local terms energy: -63.401417
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -174.841002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.841002 (E_RNA)
where:
Base-Base interactions energy: -112.155
where: short stacking energy: -58.571
Base-Backbone interact. energy: 0.001
local terms energy: -62.686305
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -103.903390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.903390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.903390 (E_RNA)
where:
Base-Base interactions energy: -52.627
where: short stacking energy: -43.018
Base-Backbone interact. energy: -0.615
local terms energy: -50.660478
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -8.096
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -95.009760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009760 (E_RNA)
where:
Base-Base interactions energy: -40.699
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.074
local terms energy: -54.236628
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -93.839748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839748 (E_RNA)
where:
Base-Base interactions energy: -48.582
where: short stacking energy: -30.783
Base-Backbone interact. energy: 0.660
local terms energy: -45.917011
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -4.595
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -84.148724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.148724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.148724 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.010
local terms energy: -44.030483
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -73.457867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.457867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.457867 (E_RNA)
where:
Base-Base interactions energy: -23.409
where: short stacking energy: -23.409
Base-Backbone interact. energy: -0.134
local terms energy: -49.915174
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -67.391627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.391627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.391627 (E_RNA)
where:
Base-Base interactions energy: -26.359
where: short stacking energy: -22.864
Base-Backbone interact. energy: -0.195
local terms energy: -40.837630
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -179.524669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.524669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.524669 (E_RNA)
where:
Base-Base interactions energy: -112.631
where: short stacking energy: -57.559
Base-Backbone interact. energy: -0.566
local terms energy: -66.327754
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -173.056846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.056846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.056846 (E_RNA)
where:
Base-Base interactions energy: -112.291
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.167
local terms energy: -60.598723
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -178.914985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.914985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914985 (E_RNA)
where:
Base-Base interactions energy: -114.983
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.385
local terms energy: -63.546979
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -165.018072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.018072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.018072 (E_RNA)
where:
Base-Base interactions energy: -103.935
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.826
local terms energy: -60.257617
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -12.570
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -83.670983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670983 (E_RNA)
where:
Base-Base interactions energy: -34.000
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.152
local terms energy: -49.519203
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -88.358647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.358647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.358647 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.096
local terms energy: -51.849588
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -82.630704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.630704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.630704 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -22.157
Base-Backbone interact. energy: -0.298
local terms energy: -48.612300
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -74.045175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.045175 (E_RNA)
where:
Base-Base interactions energy: -24.733
where: short stacking energy: -24.733
Base-Backbone interact. energy: -1.083
local terms energy: -48.229216
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -93.188972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.188972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.188972 (E_RNA)
where:
Base-Base interactions energy: -46.952
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.119
local terms energy: -46.117223
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -10.321
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -69.516728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.516728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.516728 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.002
local terms energy: -41.954584
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -183.940904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.940904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.940904 (E_RNA)
where:
Base-Base interactions energy: -114.176
where: short stacking energy: -60.564
Base-Backbone interact. energy: 0.502
local terms energy: -70.267580
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -15.958
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -176.737219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.737219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.737219 (E_RNA)
where:
Base-Base interactions energy: -118.322
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.589
local terms energy: -57.826512
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -4.204
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: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -169.909085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.909085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.909085 (E_RNA)
where:
Base-Base interactions energy: -105.249
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.824
local terms energy: -63.835987
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -165.175638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.175638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.175638 (E_RNA)
where:
Base-Base interactions energy: -104.160
where: short stacking energy: -46.710
Base-Backbone interact. energy: -3.042
local terms energy: -57.974167
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -8.248
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -91.907869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907869 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.320
local terms energy: -49.629355
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -88.367540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.367540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.367540 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.052
local terms energy: -53.030857
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -91.880509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880509 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.018
local terms energy: -53.124344
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -75.751170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.751170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.751170 (E_RNA)
where:
Base-Base interactions energy: -23.181
where: short stacking energy: -22.062
Base-Backbone interact. energy: -0.926
local terms energy: -51.644331
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -2.852
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: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -70.064280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.064280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.064280 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -8.646
Base-Backbone interact. energy: -0.405
local terms energy: -35.248855
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -5.359
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: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -69.257454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.257454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.257454 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.136
local terms energy: -43.657612
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -4.423
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: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -178.647557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.647557 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.095
local terms energy: -64.869449
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -164.878724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.878724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.878724 (E_RNA)
where:
Base-Base interactions energy: -103.508
where: short stacking energy: -49.492
Base-Backbone interact. energy: -1.269
local terms energy: -60.102184
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -172.772828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.772828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.772828 (E_RNA)
where:
Base-Base interactions energy: -106.629
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.740
local terms energy: -65.403839
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -146.326505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.326505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.326505 (E_RNA)
where:
Base-Base interactions energy: -90.659
where: short stacking energy: -47.448
Base-Backbone interact. energy: 1.453
local terms energy: -57.120034
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -11.218
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -87.171099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.171099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.171099 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -27.395
Base-Backbone interact. energy: -0.181
local terms energy: -49.941638
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -85.305783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.305783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.305783 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.091
local terms energy: -54.551196
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -8.907
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -80.374694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.374694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.374694 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.031
local terms energy: -49.275423
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -10.289
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: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -80.659657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.659657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.659657 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.005
local terms energy: -50.679218
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.313
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -79.077812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.077812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.077812 (E_RNA)
where:
Base-Base interactions energy: -26.449
where: short stacking energy: -26.449
Base-Backbone interact. energy: -0.030
local terms energy: -52.598653
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -71.833009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.833009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.833009 (E_RNA)
where:
Base-Base interactions energy: -23.753
where: short stacking energy: -17.199
Base-Backbone interact. energy: -1.860
local terms energy: -46.220152
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: 1.615
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -177.265129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265129 (E_RNA)
where:
Base-Base interactions energy: -105.449
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.001
local terms energy: -71.815520
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.149
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: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -167.232345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.232345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.232345 (E_RNA)
where:
Base-Base interactions energy: -97.438
where: short stacking energy: -56.200
Base-Backbone interact. energy: -0.087
local terms energy: -69.707741
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -165.106707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.106707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.106707 (E_RNA)
where:
Base-Base interactions energy: -99.273
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.639
local terms energy: -65.195164
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -16.614
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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -146.199720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.199720 (E_RNA)
where:
Base-Base interactions energy: -86.078
where: short stacking energy: -40.968
Base-Backbone interact. energy: 0.184
local terms energy: -60.305706
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -85.659562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659562 (E_RNA)
where:
Base-Base interactions energy: -37.695
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.148
local terms energy: -47.816695
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -82.703101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.703101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.703101 (E_RNA)
where:
Base-Base interactions energy: -26.132
where: short stacking energy: -18.177
Base-Backbone interact. energy: 0.349
local terms energy: -56.919571
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -105.733087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.733087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.733087 (E_RNA)
where:
Base-Base interactions energy: -55.368
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.017
local terms energy: -50.348251
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -10.088
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: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -77.853889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853889 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -31.821
Base-Backbone interact. energy: 0.395
local terms energy: -45.256997
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -2.735
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -75.694706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.694706 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -17.479
Base-Backbone interact. energy: -0.349
local terms energy: -50.142278
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -73.088025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.088025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.088025 (E_RNA)
where:
Base-Base interactions energy: -22.670
where: short stacking energy: -13.585
Base-Backbone interact. energy: -1.670
local terms energy: -48.748586
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.277
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -179.835846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.835846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.835846 (E_RNA)
where:
Base-Base interactions energy: -117.518
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.002
local terms energy: -62.316672
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -175.349116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.349116 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.383
local terms energy: -64.053819
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -168.821794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.821794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.821794 (E_RNA)
where:
Base-Base interactions energy: -101.451
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.002
local terms energy: -67.369320
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -170.976156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.976156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.976156 (E_RNA)
where:
Base-Base interactions energy: -105.507
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.061
local terms energy: -65.407715
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -98.342258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.342258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.342258 (E_RNA)
where:
Base-Base interactions energy: -47.692
where: short stacking energy: -25.892
Base-Backbone interact. energy: -0.297
local terms energy: -50.352969
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -90.145113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.145113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.145113 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -21.226
Base-Backbone interact. energy: 0.277
local terms energy: -51.076016
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -7.789
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -89.814054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.814054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.814054 (E_RNA)
where:
Base-Base interactions energy: -45.969
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.028
local terms energy: -43.816330
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -75.778465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.778465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.778465 (E_RNA)
where:
Base-Base interactions energy: -31.720
where: short stacking energy: -23.926
Base-Backbone interact. energy: 1.663
local terms energy: -45.720993
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -80.270384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.270384 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -17.624
Base-Backbone interact. energy: -0.067
local terms energy: -40.579862
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -5.712
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: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -68.683449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.683449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.683449 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -23.103
Base-Backbone interact. energy: 1.352
local terms energy: -46.932943
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -7.718
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -179.558809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.558809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.558809 (E_RNA)
where:
Base-Base interactions energy: -107.742
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.013
local terms energy: -71.803233
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -167.223921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.223921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.223921 (E_RNA)
where:
Base-Base interactions energy: -105.618
where: short stacking energy: -46.670
Base-Backbone interact. energy: -0.882
local terms energy: -60.723704
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -171.826993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826993 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -51.587
Base-Backbone interact. energy: -1.125
local terms energy: -63.778836
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.644
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: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -167.341414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.341414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.341414 (E_RNA)
where:
Base-Base interactions energy: -102.536
where: short stacking energy: -49.723
Base-Backbone interact. energy: -0.158
local terms energy: -64.647267
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -89.966500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.966500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.966500 (E_RNA)
where:
Base-Base interactions energy: -42.692
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.315
local terms energy: -46.959309
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -96.594426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.594426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.594426 (E_RNA)
where:
Base-Base interactions energy: -42.377
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.596
local terms energy: -53.621553
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -93.346368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.346368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.346368 (E_RNA)
where:
Base-Base interactions energy: -45.495
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.104
local terms energy: -47.747668
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -6.440
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -75.614541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.614541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.614541 (E_RNA)
where:
Base-Base interactions energy: -31.873
where: short stacking energy: -30.445
Base-Backbone interact. energy: 0.813
local terms energy: -44.554649
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -0.130
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: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -75.581083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.581083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.581083 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -22.639
Base-Backbone interact. energy: -0.010
local terms energy: -52.932036
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -61.120689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.120689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.120689 (E_RNA)
where:
Base-Base interactions energy: -14.110
where: short stacking energy: -12.576
Base-Backbone interact. energy: 0.796
local terms energy: -47.806237
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -187.953730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953730 (E_RNA)
where:
Base-Base interactions energy: -118.210
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.193
local terms energy: -69.550696
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -161.482589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.482589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.482589 (E_RNA)
where:
Base-Base interactions energy: -96.331
where: short stacking energy: -45.362
Base-Backbone interact. energy: -0.021
local terms energy: -65.130671
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -168.053650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.053650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.053650 (E_RNA)
where:
Base-Base interactions energy: -104.444
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.241
local terms energy: -63.368996
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -166.138939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.138939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.138939 (E_RNA)
where:
Base-Base interactions energy: -104.866
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.514
local terms energy: -60.758456
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -10.787
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: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -117.415968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.415968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.415968 (E_RNA)
where:
Base-Base interactions energy: -65.402
where: short stacking energy: -43.917
Base-Backbone interact. energy: -0.007
local terms energy: -52.007321
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -9.619
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -82.482026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482026 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -31.089
Base-Backbone interact. energy: -0.209
local terms energy: -42.623676
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -90.065582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.065582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.065582 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.177
local terms energy: -50.943153
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -78.926318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926318 (E_RNA)
where:
Base-Base interactions energy: -35.964
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.460
local terms energy: -42.501976
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -85.928433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.928433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.928433 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -21.256
Base-Backbone interact. energy: -0.058
local terms energy: -55.743241
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.186
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: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -78.357353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.357353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.357353 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.105
local terms energy: -44.090801
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -7.460
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: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -184.896121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.896121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.896121 (E_RNA)
where:
Base-Base interactions energy: -118.931
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.264
local terms energy: -65.700895
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -171.973096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.973096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.973096 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.427
local terms energy: -62.133084
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -175.299092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.299092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.299092 (E_RNA)
where:
Base-Base interactions energy: -115.522
where: short stacking energy: -49.717
Base-Backbone interact. energy: -0.118
local terms energy: -59.659099
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.251
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: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -132.338251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.338251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.338251 (E_RNA)
where:
Base-Base interactions energy: -81.414
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.081
local terms energy: -50.843169
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -156.540455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.540455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.540455 (E_RNA)
where:
Base-Base interactions energy: -101.526
where: short stacking energy: -51.147
Base-Backbone interact. energy: -0.020
local terms energy: -54.995217
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -101.932795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.932795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.932795 (E_RNA)
where:
Base-Base interactions energy: -55.104
where: short stacking energy: -28.651
Base-Backbone interact. energy: 0.466
local terms energy: -47.295085
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -83.318879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318879 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.165
local terms energy: -49.727947
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -73.547785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.547785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.547785 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.022
local terms energy: -44.082435
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -78.665409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.665409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.665409 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -28.488
Base-Backbone interact. energy: -0.069
local terms energy: -42.992557
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -3.284
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -64.098393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.098393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.098393 (E_RNA)
where:
Base-Base interactions energy: -9.549
where: short stacking energy: -8.327
Base-Backbone interact. energy: -0.227
local terms energy: -54.323266
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -11.776
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -175.312178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.312178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.312178 (E_RNA)
where:
Base-Base interactions energy: -115.529
where: short stacking energy: -48.545
Base-Backbone interact. energy: -1.193
local terms energy: -58.590103
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -15.587
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -190.874867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.874867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.874867 (E_RNA)
where:
Base-Base interactions energy: -123.058
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.656
local terms energy: -67.160842
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.685
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -169.422037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.422037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.422037 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -45.031
Base-Backbone interact. energy: -1.030
local terms energy: -57.240615
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -146.863008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.863008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.863008 (E_RNA)
where:
Base-Base interactions energy: -91.512
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.327
local terms energy: -55.024145
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -4.437
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -161.570041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.570041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.570041 (E_RNA)
where:
Base-Base interactions energy: -103.332
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.510
local terms energy: -57.727678
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.109
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -110.320729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.320729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.320729 (E_RNA)
where:
Base-Base interactions energy: -59.857
where: short stacking energy: -43.248
Base-Backbone interact. energy: -0.215
local terms energy: -50.248908
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -11.126
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: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -81.235174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235174 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -23.242
Base-Backbone interact. energy: -0.099
local terms energy: -47.759919
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -85.236945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.236945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.236945 (E_RNA)
where:
Base-Base interactions energy: -39.023
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.285
local terms energy: -45.929025
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -81.487173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487173 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.048
local terms energy: -50.139688
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -8.758
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: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -70.334098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.334098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.334098 (E_RNA)
where:
Base-Base interactions energy: -25.378
where: short stacking energy: -13.352
Base-Backbone interact. energy: -0.136
local terms energy: -44.819852
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -8.437
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -187.866915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.866915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.866915 (E_RNA)
where:
Base-Base interactions energy: -125.030
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.933
local terms energy: -61.904648
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -15.878
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: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -183.552612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.552612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.552612 (E_RNA)
where:
Base-Base interactions energy: -120.292
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.100
local terms energy: -63.160240
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -179.225716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.225716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.225716 (E_RNA)
where:
Base-Base interactions energy: -108.485
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.014
local terms energy: -70.726424
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.626
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -163.647753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.647753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.647753 (E_RNA)
where:
Base-Base interactions energy: -105.741
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.484
local terms energy: -57.422410
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -158.384246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.384246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.384246 (E_RNA)
where:
Base-Base interactions energy: -90.694
where: short stacking energy: -52.551
Base-Backbone interact. energy: -1.134
local terms energy: -66.555952
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -13.135
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -77.316905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.316905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.316905 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.131
local terms energy: -44.397407
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -1.119
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -78.711526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711526 (E_RNA)
where:
Base-Base interactions energy: -39.339
where: short stacking energy: -22.994
Base-Backbone interact. energy: -0.759
local terms energy: -38.613687
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -6.233
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: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -89.535165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.535165 (E_RNA)
where:
Base-Base interactions energy: -43.245
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.003
local terms energy: -46.287245
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -4.880
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: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -69.487544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.487544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.487544 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -23.577
Base-Backbone interact. energy: -0.375
local terms energy: -37.561862
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -64.430603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.430603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.430603 (E_RNA)
where:
Base-Base interactions energy: -20.059
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.322
local terms energy: -44.049617
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -181.030694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.030694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.030694 (E_RNA)
where:
Base-Base interactions energy: -110.025
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.000
local terms energy: -71.005876
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -185.643538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.643538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.643538 (E_RNA)
where:
Base-Base interactions energy: -124.117
where: short stacking energy: -53.726
Base-Backbone interact. energy: -0.169
local terms energy: -61.357720
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -184.993602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.993602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.993602 (E_RNA)
where:
Base-Base interactions energy: -114.830
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.003
local terms energy: -70.160630
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -157.002248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.002248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.002248 (E_RNA)
where:
Base-Base interactions energy: -94.517
where: short stacking energy: -43.938
Base-Backbone interact. energy: -0.170
local terms energy: -62.315065
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -160.613393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.613393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.613393 (E_RNA)
where:
Base-Base interactions energy: -104.738
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.803
local terms energy: -55.073015
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.319
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -81.713999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.713999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.713999 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.238
local terms energy: -45.564190
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -85.859213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.859213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.859213 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.107
local terms energy: -51.158227
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -82.506187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506187 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -18.491
Base-Backbone interact. energy: -0.145
local terms energy: -35.996619
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -70.048720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.048720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.048720 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -26.858
Base-Backbone interact. energy: -0.760
local terms energy: -39.661773
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -69.342212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.342212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.342212 (E_RNA)
where:
Base-Base interactions energy: -34.954
where: short stacking energy: -18.000
Base-Backbone interact. energy: 1.227
local terms energy: -35.614985
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: 3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -183.298767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.298767 (E_RNA)
where:
Base-Base interactions energy: -113.954
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.415
local terms energy: -68.929615
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -12.796
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -182.142340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.142340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.142340 (E_RNA)
where:
Base-Base interactions energy: -116.751
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.645
local terms energy: -64.746699
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -176.445971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.445971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.445971 (E_RNA)
where:
Base-Base interactions energy: -107.378
where: short stacking energy: -58.859
Base-Backbone interact. energy: -0.327
local terms energy: -68.740500
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -160.067702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.067702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.067702 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -41.670
Base-Backbone interact. energy: -0.038
local terms energy: -63.059206
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -12.393
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: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -148.712288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.712288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.712288 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.447
local terms energy: -51.148630
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -6.826
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: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -85.456430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.456430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.456430 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.001
local terms energy: -55.307227
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -91.301078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301078 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.427
local terms energy: -50.572650
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -86.802099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.802099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.802099 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -18.904
Base-Backbone interact. energy: -0.182
local terms energy: -52.648838
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -90.484187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484187 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.314
local terms energy: -53.279844
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -72.624035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.624035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.624035 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -22.538
Base-Backbone interact. energy: 0.699
local terms energy: -50.400349
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -195.458428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.458428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.458428 (E_RNA)
where:
Base-Base interactions energy: -129.865
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.053
local terms energy: -65.540375
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -182.113956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.113956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.113956 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.401
local terms energy: -65.508579
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -174.481677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.481677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.481677 (E_RNA)
where:
Base-Base interactions energy: -115.896
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.014
local terms energy: -58.571149
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -161.771732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.771732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.771732 (E_RNA)
where:
Base-Base interactions energy: -99.984
where: short stacking energy: -46.496
Base-Backbone interact. energy: -0.126
local terms energy: -61.661423
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -149.288484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.288484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.288484 (E_RNA)
where:
Base-Base interactions energy: -92.213
where: short stacking energy: -46.574
Base-Backbone interact. energy: -0.434
local terms energy: -56.641598
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -91.022007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.022007 (E_RNA)
where:
Base-Base interactions energy: -35.842
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.088
local terms energy: -55.092174
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -13.255
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: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -75.018116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.018116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.018116 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -25.500
Base-Backbone interact. energy: 0.186
local terms energy: -46.524101
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -67.736035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.736035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.736035 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.049
local terms energy: -37.655532
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -68.623471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.623471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.623471 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -26.882
Base-Backbone interact. energy: -0.041
local terms energy: -37.714495
where:
bonds (distance) C4'-P energy: -3.910
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -5.609
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: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -86.474942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.474942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.474942 (E_RNA)
where:
Base-Base interactions energy: -43.572
where: short stacking energy: -20.648
Base-Backbone interact. energy: -0.234
local terms energy: -42.668853
where:
bonds (distance) C4'-P energy: -6.562
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -7.338
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -177.886338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.886338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.886338 (E_RNA)
where:
Base-Base interactions energy: -116.695
where: short stacking energy: -45.774
Base-Backbone interact. energy: -0.646
local terms energy: -60.546001
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -12.615
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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -175.034218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.034218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.034218 (E_RNA)
where:
Base-Base interactions energy: -111.774
where: short stacking energy: -56.742
Base-Backbone interact. energy: 1.253
local terms energy: -64.513622
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -165.277250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.277250 (E_RNA)
where:
Base-Base interactions energy: -94.658
where: short stacking energy: -52.257
Base-Backbone interact. energy: -0.001
local terms energy: -70.618824
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -169.110726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.110726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.110726 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -51.161
Base-Backbone interact. energy: -0.001
local terms energy: -64.817215
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -134.450626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.450626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.450626 (E_RNA)
where:
Base-Base interactions energy: -81.695
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.307
local terms energy: -52.449196
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -94.169911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.169911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.169911 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.346
local terms energy: -53.242377
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -12.860
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: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -77.729447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.729447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.729447 (E_RNA)
where:
Base-Base interactions energy: -26.097
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.591
local terms energy: -51.041399
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -81.982209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982209 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.031
local terms energy: -44.825539
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -70.039939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.039939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.039939 (E_RNA)
where:
Base-Base interactions energy: -23.859
where: short stacking energy: -23.859
Base-Backbone interact. energy: -0.163
local terms energy: -46.017474
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -5.842
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: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -72.914856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.914856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.914856 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -21.452
Base-Backbone interact. energy: -0.076
local terms energy: -46.758111
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -179.662426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662426 (E_RNA)
where:
Base-Base interactions energy: -115.918
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.281
local terms energy: -63.463434
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -167.984595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.984595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.984595 (E_RNA)
where:
Base-Base interactions energy: -110.817
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.579
local terms energy: -56.588202
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -5.142
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: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -180.114165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.114165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.114165 (E_RNA)
where:
Base-Base interactions energy: -110.288
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.223
local terms energy: -69.603191
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -159.406114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.406114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.406114 (E_RNA)
where:
Base-Base interactions energy: -94.742
where: short stacking energy: -44.696
Base-Backbone interact. energy: -1.604
local terms energy: -63.059739
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -11.237
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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -141.188556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.188556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.188556 (E_RNA)
where:
Base-Base interactions energy: -85.532
where: short stacking energy: -39.691
Base-Backbone interact. energy: -0.094
local terms energy: -55.562733
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -82.606774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.606774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.606774 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.464
local terms energy: -43.023010
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -5.358
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: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -83.613271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.613271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.613271 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.011
local terms energy: -53.153586
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -7.166
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -80.725123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.725123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.725123 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.031
local terms energy: -43.850306
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -5.789
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -68.201523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.201523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.201523 (E_RNA)
where:
Base-Base interactions energy: -17.724
where: short stacking energy: -17.724
Base-Backbone interact. energy: -0.079
local terms energy: -50.397751
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -73.518080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.518080 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.193
local terms energy: -45.586574
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -10.385
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: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -178.532445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.532445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.532445 (E_RNA)
where:
Base-Base interactions energy: -112.775
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.680
local terms energy: -65.077374
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -178.641685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.641685 (E_RNA)
where:
Base-Base interactions energy: -106.092
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.102
local terms energy: -72.447697
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -166.217030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.217030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.217030 (E_RNA)
where:
Base-Base interactions energy: -106.194
where: short stacking energy: -45.609
Base-Backbone interact. energy: 0.497
local terms energy: -60.519784
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -12.926
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -151.152074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.152074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.152074 (E_RNA)
where:
Base-Base interactions energy: -102.269
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.190
local terms energy: -48.692671
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -8.227
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: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -167.033224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.033224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.033224 (E_RNA)
where:
Base-Base interactions energy: -100.228
where: short stacking energy: -51.954
Base-Backbone interact. energy: -0.601
local terms energy: -66.204087
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -89.553168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553168 (E_RNA)
where:
Base-Base interactions energy: -41.422
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.115
local terms energy: -48.016080
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -7.238
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: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -81.412519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.412519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.412519 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -14.530
Base-Backbone interact. energy: -1.837
local terms energy: -44.904985
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -79.171630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.171630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.171630 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -29.390
Base-Backbone interact. energy: -0.179
local terms energy: -49.602890
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -73.548834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.548834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.548834 (E_RNA)
where:
Base-Base interactions energy: -28.109
where: short stacking energy: -22.304
Base-Backbone interact. energy: -0.141
local terms energy: -45.298821
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -8.014
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -62.297403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.297403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.297403 (E_RNA)
where:
Base-Base interactions energy: -20.236
where: short stacking energy: -19.905
Base-Backbone interact. energy: -0.281
local terms energy: -41.780105
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -2.392
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -175.366104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.366104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.366104 (E_RNA)
where:
Base-Base interactions energy: -114.476
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.316
local terms energy: -60.573838
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -164.307915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.307915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.307915 (E_RNA)
where:
Base-Base interactions energy: -101.889
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.846
local terms energy: -61.573551
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -6.138
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: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -169.716495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.716495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.716495 (E_RNA)
where:
Base-Base interactions energy: -104.329
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.004
local terms energy: -65.383136
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -165.757674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.757674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.757674 (E_RNA)
where:
Base-Base interactions energy: -104.699
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.139
local terms energy: -60.919463
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -153.776358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.776358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.776358 (E_RNA)
where:
Base-Base interactions energy: -99.076
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.029
local terms energy: -54.671619
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -13.321
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: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -97.867137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867137 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.643
local terms energy: -53.633060
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.448
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: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -86.736593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.736593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.736593 (E_RNA)
where:
Base-Base interactions energy: -33.066
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.254
local terms energy: -53.415863
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -74.556226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.556226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.556226 (E_RNA)
where:
Base-Base interactions energy: -23.098
where: short stacking energy: -22.924
Base-Backbone interact. energy: -0.091
local terms energy: -51.367235
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -9.731
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: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -68.958273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.958273 (E_RNA)
where:
Base-Base interactions energy: -26.464
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.067
local terms energy: -42.427725
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -73.294834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.294834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.294834 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.259
local terms energy: -44.519278
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -171.751563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.751563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.751563 (E_RNA)
where:
Base-Base interactions energy: -110.796
where: short stacking energy: -43.686
Base-Backbone interact. energy: -0.172
local terms energy: -60.783256
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -174.505848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.505848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.505848 (E_RNA)
where:
Base-Base interactions energy: -110.942
where: short stacking energy: -58.745
Base-Backbone interact. energy: 0.147
local terms energy: -63.710502
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -11.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -165.346412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.346412 (E_RNA)
where:
Base-Base interactions energy: -101.188
where: short stacking energy: -43.847
Base-Backbone interact. energy: -0.123
local terms energy: -64.035256
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -160.039992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.039992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.039992 (E_RNA)
where:
Base-Base interactions energy: -99.147
where: short stacking energy: -45.233
Base-Backbone interact. energy: 0.405
local terms energy: -61.297914
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -160.716472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.716472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.716472 (E_RNA)
where:
Base-Base interactions energy: -98.896
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.789
local terms energy: -61.031055
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.344
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -81.023520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.023520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.023520 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.282
local terms energy: -47.636377
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -85.209225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.209225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.209225 (E_RNA)
where:
Base-Base interactions energy: -37.040
where: short stacking energy: -14.080
Base-Backbone interact. energy: -0.179
local terms energy: -47.989987
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -72.850446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.850446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.850446 (E_RNA)
where:
Base-Base interactions energy: -29.368
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.052
local terms energy: -43.430616
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -86.111693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.111693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.111693 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -20.777
Base-Backbone interact. energy: -0.370
local terms energy: -45.919973
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.659
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.022683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.022683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.022683 (E_RNA)
where:
Base-Base interactions energy: -25.909
where: short stacking energy: -23.744
Base-Backbone interact. energy: -0.303
local terms energy: -50.810248
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -182.473250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.473250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.473250 (E_RNA)
where:
Base-Base interactions energy: -109.943
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.004
local terms energy: -72.525649
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -17.022
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: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -165.896677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.896677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.896677 (E_RNA)
where:
Base-Base interactions energy: -100.029
where: short stacking energy: -45.040
Base-Backbone interact. energy: -0.412
local terms energy: -65.455165
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.120
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: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -161.884294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.884294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.884294 (E_RNA)
where:
Base-Base interactions energy: -105.548
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.918
local terms energy: -55.418081
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -9.674
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: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -164.494866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.494866 (E_RNA)
where:
Base-Base interactions energy: -99.095
where: short stacking energy: -44.944
Base-Backbone interact. energy: -0.032
local terms energy: -65.368065
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -12.315
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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -151.955539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.955539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.955539 (E_RNA)
where:
Base-Base interactions energy: -91.251
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.410
local terms energy: -60.294791
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -86.048924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048924 (E_RNA)
where:
Base-Base interactions energy: -40.389
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.243
local terms energy: -45.417228
where:
bonds (distance) C4'-P energy: -7.145
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -86.421807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421807 (E_RNA)
where:
Base-Base interactions energy: -35.159
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.031
local terms energy: -51.231557
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -75.843578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.843578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.843578 (E_RNA)
where:
Base-Base interactions energy: -24.103
where: short stacking energy: -24.103
Base-Backbone interact. energy: -0.285
local terms energy: -51.455024
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -5.464
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -86.494357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494357 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -23.215
Base-Backbone interact. energy: -0.102
local terms energy: -48.408582
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -2.238
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: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -71.725265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.725265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.725265 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -20.068
Base-Backbone interact. energy: -0.416
local terms energy: -45.508649
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: 0.873
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: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -175.808198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.808198 (E_RNA)
where:
Base-Base interactions energy: -105.833
where: short stacking energy: -56.204
Base-Backbone interact. energy: -0.041
local terms energy: -69.934046
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -11.784
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: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -155.107674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.107674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.107674 (E_RNA)
where:
Base-Base interactions energy: -92.367
where: short stacking energy: -45.982
Base-Backbone interact. energy: -0.345
local terms energy: -62.396015
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.179
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: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -165.065486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.065486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.065486 (E_RNA)
where:
Base-Base interactions energy: -96.147
where: short stacking energy: -40.452
Base-Backbone interact. energy: -0.119
local terms energy: -68.799759
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -12.595
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: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -171.045964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.045964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.045964 (E_RNA)
where:
Base-Base interactions energy: -102.309
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.587
local terms energy: -68.150854
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -17.808
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: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -146.670401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.670401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.670401 (E_RNA)
where:
Base-Base interactions energy: -86.105
where: short stacking energy: -45.678
Base-Backbone interact. energy: 1.572
local terms energy: -62.137730
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -94.611732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.611732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.611732 (E_RNA)
where:
Base-Base interactions energy: -44.442
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.781
local terms energy: -49.388319
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.720
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: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -77.372031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.372031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.372031 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.175
local terms energy: -45.571606
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: 2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -84.492895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.492895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.492895 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.006
local terms energy: -58.596524
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.611
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: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -73.384500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.384500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.384500 (E_RNA)
where:
Base-Base interactions energy: -29.560
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.177
local terms energy: -43.646998
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -68.844871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.844871 (E_RNA)
where:
Base-Base interactions energy: -24.178
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.168
local terms energy: -44.498042
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -0.893
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -170.734238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.734238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.734238 (E_RNA)
where:
Base-Base interactions energy: -99.106
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.890
local terms energy: -70.738058
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -166.108819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.108819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.108819 (E_RNA)
where:
Base-Base interactions energy: -105.013
where: short stacking energy: -51.416
Base-Backbone interact. energy: -1.009
local terms energy: -60.086853
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -176.582708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.582708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.582708 (E_RNA)
where:
Base-Base interactions energy: -111.200
where: short stacking energy: -50.136
Base-Backbone interact. energy: -0.452
local terms energy: -64.930611
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -168.409072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.409072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.409072 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.576
local terms energy: -63.583177
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -151.390362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.390362 (E_RNA)
where:
Base-Base interactions energy: -101.191
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.188
local terms energy: -50.010738
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -86.107813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.107813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.107813 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -31.176
Base-Backbone interact. energy: -0.111
local terms energy: -49.185434
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -8.201
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -92.471163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.471163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.471163 (E_RNA)
where:
Base-Base interactions energy: -43.950
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.987
local terms energy: -47.534202
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -8.042
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: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -72.872942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.872942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.872942 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.098
local terms energy: -40.635406
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.495
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: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -92.423121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.423121 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.086
local terms energy: -46.228585
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -81.270210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270210 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -29.052
Base-Backbone interact. energy: 1.797
local terms energy: -40.174743
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -7.661
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -172.205243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.205243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.205243 (E_RNA)
where:
Base-Base interactions energy: -106.275
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.003
local terms energy: -65.926916
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -177.610664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.610664 (E_RNA)
where:
Base-Base interactions energy: -107.332
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.043
local terms energy: -70.235620
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -174.702854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.702854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.702854 (E_RNA)
where:
Base-Base interactions energy: -105.900
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.055
local terms energy: -68.748173
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.453
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: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -168.061239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.061239 (E_RNA)
where:
Base-Base interactions energy: -101.121
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.049
local terms energy: -66.892209
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -16.765
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: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -166.336414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.336414 (E_RNA)
where:
Base-Base interactions energy: -107.861
where: short stacking energy: -48.972
Base-Backbone interact. energy: -1.020
local terms energy: -57.455363
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -107.600768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.600768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.600768 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.581
local terms energy: -60.105130
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.735
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -102.750292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.750292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.750292 (E_RNA)
where:
Base-Base interactions energy: -57.256
where: short stacking energy: -36.793
Base-Backbone interact. energy: -0.179
local terms energy: -45.315179
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -5.679
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: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -80.196413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.196413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.196413 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.024
local terms energy: -48.482920
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -83.084846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.084846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.084846 (E_RNA)
where:
Base-Base interactions energy: -30.220
where: short stacking energy: -21.689
Base-Backbone interact. energy: 0.034
local terms energy: -52.899289
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -66.513803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.513803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.513803 (E_RNA)
where:
Base-Base interactions energy: -22.816
where: short stacking energy: -12.304
Base-Backbone interact. energy: -0.014
local terms energy: -43.684292
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -182.078588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.078588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.078588 (E_RNA)
where:
Base-Base interactions energy: -110.207
where: short stacking energy: -58.578
Base-Backbone interact. energy: -0.002
local terms energy: -71.869773
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -172.437004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.437004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.437004 (E_RNA)
where:
Base-Base interactions energy: -107.044
where: short stacking energy: -60.205
Base-Backbone interact. energy: -1.059
local terms energy: -64.333595
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -171.428720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.428720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.428720 (E_RNA)
where:
Base-Base interactions energy: -112.300
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.041
local terms energy: -59.087947
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -179.860056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.860056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.860056 (E_RNA)
where:
Base-Base interactions energy: -112.976
where: short stacking energy: -55.194
Base-Backbone interact. energy: -0.308
local terms energy: -66.576172
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.336
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -153.841556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.841556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.841556 (E_RNA)
where:
Base-Base interactions energy: -95.447
where: short stacking energy: -42.683
Base-Backbone interact. energy: -1.515
local terms energy: -56.879630
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -84.037997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.037997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.037997 (E_RNA)
where:
Base-Base interactions energy: -31.230
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.041
local terms energy: -52.766316
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -87.992763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.992763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.992763 (E_RNA)
where:
Base-Base interactions energy: -41.041
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.364
local terms energy: -46.588055
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -78.394361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394361 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.207
local terms energy: -44.653618
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -71.956246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.956246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.956246 (E_RNA)
where:
Base-Base interactions energy: -29.657
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.236
local terms energy: -42.063236
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -3.878
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: 0.422
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: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -72.762812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.762812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.762812 (E_RNA)
where:
Base-Base interactions energy: -35.109
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.144
local terms energy: -37.510449
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -4.745
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: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -178.983237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.983237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.983237 (E_RNA)
where:
Base-Base interactions energy: -117.264
where: short stacking energy: -51.818
Base-Backbone interact. energy: -0.956
local terms energy: -60.763898
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -177.368614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.368614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.368614 (E_RNA)
where:
Base-Base interactions energy: -112.059
where: short stacking energy: -56.145
Base-Backbone interact. energy: 1.493
local terms energy: -66.802314
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -7.043
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: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -166.828200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.828200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.828200 (E_RNA)
where:
Base-Base interactions energy: -99.232
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.632
local terms energy: -66.963970
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.066
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: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -170.172624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172624 (E_RNA)
where:
Base-Base interactions energy: -105.620
where: short stacking energy: -51.192
Base-Backbone interact. energy: 0.654
local terms energy: -65.206432
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -14.020
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: 173
Temperature: 1.100000
Total energy: -162.384317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.384317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.384317 (E_RNA)
where:
Base-Base interactions energy: -107.784
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.425
local terms energy: -54.175123
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -104.306918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.306918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.306918 (E_RNA)
where:
Base-Base interactions energy: -48.657
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.044
local terms energy: -55.605255
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -86.431795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.431795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.431795 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.052
local terms energy: -49.296391
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -81.569225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.569225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.569225 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -28.713
Base-Backbone interact. energy: 0.208
local terms energy: -39.546039
where:
bonds (distance) C4'-P energy: -6.019
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -2.519
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: 173
Temperature: 1.300000
Total energy: -93.392730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392730 (E_RNA)
where:
Base-Base interactions energy: -46.712
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.181
local terms energy: -46.499555
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -3.208
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -71.166224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.166224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.166224 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.300
local terms energy: -40.986084
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -186.220351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.220351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.220351 (E_RNA)
where:
Base-Base interactions energy: -122.683
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.297
local terms energy: -63.240528
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -181.476338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.476338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.476338 (E_RNA)
where:
Base-Base interactions energy: -123.744
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.644
local terms energy: -57.088687
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -164.765530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.765530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.765530 (E_RNA)
where:
Base-Base interactions energy: -97.591
where: short stacking energy: -48.982
Base-Backbone interact. energy: -0.108
local terms energy: -67.066282
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -164.367588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.367588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.367588 (E_RNA)
where:
Base-Base interactions energy: -102.452
where: short stacking energy: -50.369
Base-Backbone interact. energy: -0.006
local terms energy: -61.910030
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -149.950403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.950403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.950403 (E_RNA)
where:
Base-Base interactions energy: -92.757
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.223
local terms energy: -56.969814
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -103.379949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.379949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.379949 (E_RNA)
where:
Base-Base interactions energy: -49.076
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.100
local terms energy: -54.204228
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -90.524015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.524015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.524015 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.020
local terms energy: -51.756586
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -77.649458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649458 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -22.585
Base-Backbone interact. energy: -0.136
local terms energy: -44.742126
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.925
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: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -121.361510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.361510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.361510 (E_RNA)
where:
Base-Base interactions energy: -75.872
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.205
local terms energy: -45.284091
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -67.360374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.360374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.360374 (E_RNA)
where:
Base-Base interactions energy: -23.831
where: short stacking energy: -23.831
Base-Backbone interact. energy: -0.167
local terms energy: -43.363291
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -0.492
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -179.277699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.277699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.277699 (E_RNA)
where:
Base-Base interactions energy: -110.743
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.001
local terms energy: -68.534422
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.230
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: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -176.290733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.290733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.290733 (E_RNA)
where:
Base-Base interactions energy: -110.763
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.739
local terms energy: -64.788767
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -14.651
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: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -169.896044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.896044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.896044 (E_RNA)
where:
Base-Base interactions energy: -107.182
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.145
local terms energy: -62.569396
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -163.575624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.575624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.575624 (E_RNA)
where:
Base-Base interactions energy: -98.856
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.003
local terms energy: -64.716503
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -157.462196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.462196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.462196 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -50.444
Base-Backbone interact. energy: 0.987
local terms energy: -64.639707
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -90.190532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190532 (E_RNA)
where:
Base-Base interactions energy: -44.032
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.967
local terms energy: -45.191886
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -88.910537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.910537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.910537 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -20.906
Base-Backbone interact. energy: -0.072
local terms energy: -47.195325
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -3.564
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: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -80.556120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.556120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.556120 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -39.011
Base-Backbone interact. energy: -0.515
local terms energy: -39.937086
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -3.559
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -84.748242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.748242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.748242 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -38.283
Base-Backbone interact. energy: -0.009
local terms energy: -44.995409
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -73.096342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.096342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.096342 (E_RNA)
where:
Base-Base interactions energy: -20.633
where: short stacking energy: -20.633
Base-Backbone interact. energy: -0.091
local terms energy: -52.371945
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -183.707151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.707151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.707151 (E_RNA)
where:
Base-Base interactions energy: -115.727
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.002
local terms energy: -67.977992
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -172.748391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.748391 (E_RNA)
where:
Base-Base interactions energy: -115.004
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.399
local terms energy: -57.345425
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -2.427
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -158.133416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.133416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.133416 (E_RNA)
where:
Base-Base interactions energy: -100.848
where: short stacking energy: -47.152
Base-Backbone interact. energy: -0.720
local terms energy: -56.565581
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -2.173
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: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -139.055984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.055984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.055984 (E_RNA)
where:
Base-Base interactions energy: -80.811
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.215
local terms energy: -58.030185
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -152.980850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.980850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.980850 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.390
local terms energy: -52.907769
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -10.394
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: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -98.251553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.251553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.251553 (E_RNA)
where:
Base-Base interactions energy: -42.008
where: short stacking energy: -42.008
Base-Backbone interact. energy: -0.095
local terms energy: -56.148658
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -1.635
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -89.099115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.099115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.099115 (E_RNA)
where:
Base-Base interactions energy: -44.410
where: short stacking energy: -27.284
Base-Backbone interact. energy: -0.155
local terms energy: -44.534091
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -6.524
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: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -82.952336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952336 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -27.045
Base-Backbone interact. energy: -0.066
local terms energy: -55.841283
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.400369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.400369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.400369 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.094
local terms energy: -47.619138
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -72.142783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.142783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.142783 (E_RNA)
where:
Base-Base interactions energy: -33.159
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.058
local terms energy: -38.925582
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: 2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -183.698884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.698884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.698884 (E_RNA)
where:
Base-Base interactions energy: -111.763
where: short stacking energy: -48.994
Base-Backbone interact. energy: -0.892
local terms energy: -71.044163
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -174.445348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.445348 (E_RNA)
where:
Base-Base interactions energy: -106.258
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.005
local terms energy: -68.182030
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.238
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: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -174.009500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.009500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.009500 (E_RNA)
where:
Base-Base interactions energy: -111.627
where: short stacking energy: -56.001
Base-Backbone interact. energy: -0.150
local terms energy: -62.232648
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -165.617466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.617466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.617466 (E_RNA)
where:
Base-Base interactions energy: -107.709
where: short stacking energy: -45.157
Base-Backbone interact. energy: -1.180
local terms energy: -56.729024
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -106.659732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.659732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.659732 (E_RNA)
where:
Base-Base interactions energy: -53.640
where: short stacking energy: -34.730
Base-Backbone interact. energy: -0.180
local terms energy: -52.839249
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -80.595804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.595804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.595804 (E_RNA)
where:
Base-Base interactions energy: -21.492
where: short stacking energy: -18.854
Base-Backbone interact. energy: -0.178
local terms energy: -58.925933
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -4.940
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: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -77.211852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.211852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.211852 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -29.969
Base-Backbone interact. energy: -0.137
local terms energy: -43.835550
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -75.000442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.000442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.000442 (E_RNA)
where:
Base-Base interactions energy: -28.041
where: short stacking energy: -28.041
Base-Backbone interact. energy: -0.218
local terms energy: -46.740676
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -83.861899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.861899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.861899 (E_RNA)
where:
Base-Base interactions energy: -38.285
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.167
local terms energy: -45.409474
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -64.997384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.997384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.997384 (E_RNA)
where:
Base-Base interactions energy: -23.304
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.089
local terms energy: -41.604012
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -189.408127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408127 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.054
local terms energy: -72.934653
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -177.915472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.915472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.915472 (E_RNA)
where:
Base-Base interactions energy: -105.282
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.287
local terms energy: -72.346602
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -17.773
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: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -167.056626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.056626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.056626 (E_RNA)
where:
Base-Base interactions energy: -106.878
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.191
local terms energy: -59.988132
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -152.146904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.146904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.146904 (E_RNA)
where:
Base-Base interactions energy: -96.330
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.004
local terms energy: -55.813159
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -13.828
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -116.173010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.173010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.173010 (E_RNA)
where:
Base-Base interactions energy: -69.374
where: short stacking energy: -32.380
Base-Backbone interact. energy: -0.392
local terms energy: -46.406761
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -0.053
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: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -90.029049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029049 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.111
local terms energy: -61.113570
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -93.588240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.588240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.588240 (E_RNA)
where:
Base-Base interactions energy: -40.478
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.184
local terms energy: -52.926525
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -1.305
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: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -81.476171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.476171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.476171 (E_RNA)
where:
Base-Base interactions energy: -33.170
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.116
local terms energy: -48.190627
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -10.185
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: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -65.902164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.902164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.902164 (E_RNA)
where:
Base-Base interactions energy: -26.623
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.301
local terms energy: -38.977846
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -68.991589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.991589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.991589 (E_RNA)
where:
Base-Base interactions energy: -26.017
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.086
local terms energy: -42.889128
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -3.836
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: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -187.143929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.143929 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.004
local terms energy: -63.057517
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -182.737988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.737988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.737988 (E_RNA)
where:
Base-Base interactions energy: -109.853
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.238
local terms energy: -72.646962
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -19.913
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -160.208177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.208177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.208177 (E_RNA)
where:
Base-Base interactions energy: -110.977
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.414
local terms energy: -48.816606
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -164.581540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.581540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.581540 (E_RNA)
where:
Base-Base interactions energy: -94.886
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.050
local terms energy: -69.645283
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.822
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: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -122.641029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.641029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.641029 (E_RNA)
where:
Base-Base interactions energy: -62.691
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.296
local terms energy: -59.654176
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -86.261125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.261125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.261125 (E_RNA)
where:
Base-Base interactions energy: -30.531
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.502
local terms energy: -55.227722
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -10.928
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: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -81.471103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.471103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.471103 (E_RNA)
where:
Base-Base interactions energy: -27.222
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.130
local terms energy: -54.119116
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.346
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: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -77.180893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180893 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.100
local terms energy: -42.047380
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -66.921438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.921438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.921438 (E_RNA)
where:
Base-Base interactions energy: -24.631
where: short stacking energy: -23.551
Base-Backbone interact. energy: -0.265
local terms energy: -42.025281
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: 4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -75.769317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769317 (E_RNA)
where:
Base-Base interactions energy: -25.234
where: short stacking energy: -25.234
Base-Backbone interact. energy: -0.038
local terms energy: -50.497378
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -189.190211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.190211 (E_RNA)
where:
Base-Base interactions energy: -113.207
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.487
local terms energy: -75.497048
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -177.969330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.969330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.969330 (E_RNA)
where:
Base-Base interactions energy: -111.661
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.608
local terms energy: -65.700319
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -16.492
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: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -155.267805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.267805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.267805 (E_RNA)
where:
Base-Base interactions energy: -105.619
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.548
local terms energy: -49.100511
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -8.222
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -164.216274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.216274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.216274 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.242
local terms energy: -54.600091
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -89.851514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.851514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.851514 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.849
local terms energy: -56.546093
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.073
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: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -83.898753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898753 (E_RNA)
where:
Base-Base interactions energy: -38.791
where: short stacking energy: -28.222
Base-Backbone interact. energy: 0.236
local terms energy: -45.343836
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -83.957293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.957293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.957293 (E_RNA)
where:
Base-Base interactions energy: -37.847
where: short stacking energy: -35.972
Base-Backbone interact. energy: -0.082
local terms energy: -46.028919
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -6.129
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: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -78.394137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394137 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -24.369
Base-Backbone interact. energy: 3.262
local terms energy: -51.892175
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -9.493
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: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -77.114623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.114623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.114623 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -17.087
Base-Backbone interact. energy: -0.096
local terms energy: -50.064675
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -69.488850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.488850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.488850 (E_RNA)
where:
Base-Base interactions energy: -23.929
where: short stacking energy: -20.962
Base-Backbone interact. energy: -0.656
local terms energy: -44.903113
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -2.379
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -181.701569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.701569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.701569 (E_RNA)
where:
Base-Base interactions energy: -110.040
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.935
local terms energy: -70.726293
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.204
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: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -166.435180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.435180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.435180 (E_RNA)
where:
Base-Base interactions energy: -108.685
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.363
local terms energy: -57.387067
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -11.157
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: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -166.963588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.963588 (E_RNA)
where:
Base-Base interactions energy: -104.535
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.442
local terms energy: -61.986348
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -170.969117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.969117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.969117 (E_RNA)
where:
Base-Base interactions energy: -101.883
where: short stacking energy: -53.875
Base-Backbone interact. energy: -2.888
local terms energy: -66.198750
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -6.393
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -120.359948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.359948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.359948 (E_RNA)
where:
Base-Base interactions energy: -68.529
where: short stacking energy: -24.799
Base-Backbone interact. energy: -0.304
local terms energy: -51.527389
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -7.588
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -87.621589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.621589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.621589 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -23.570
Base-Backbone interact. energy: -0.710
local terms energy: -53.339502
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -2.166
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -82.109560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.109560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.109560 (E_RNA)
where:
Base-Base interactions energy: -27.357
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.036
local terms energy: -54.716189
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -5.752
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -78.596515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.596515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.596515 (E_RNA)
where:
Base-Base interactions energy: -23.931
where: short stacking energy: -23.931
Base-Backbone interact. energy: -0.023
local terms energy: -54.642563
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -70.762419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.762419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.762419 (E_RNA)
where:
Base-Base interactions energy: -23.453
where: short stacking energy: -23.453
Base-Backbone interact. energy: -0.104
local terms energy: -47.205145
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -79.057812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057812 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.078
local terms energy: -47.671395
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -177.216024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.216024 (E_RNA)
where:
Base-Base interactions energy: -109.485
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.259
local terms energy: -67.472030
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.001
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -172.331641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.331641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.331641 (E_RNA)
where:
Base-Base interactions energy: -109.305
where: short stacking energy: -55.591
Base-Backbone interact. energy: -0.032
local terms energy: -62.994320
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -159.883956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.883956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.883956 (E_RNA)
where:
Base-Base interactions energy: -100.550
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.166
local terms energy: -59.168004
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.547
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: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -168.124573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.124573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.124573 (E_RNA)
where:
Base-Base interactions energy: -102.116
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.000
local terms energy: -66.008046
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -105.155353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.155353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.155353 (E_RNA)
where:
Base-Base interactions energy: -55.557
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.115
local terms energy: -49.482955
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -9.073
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: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -113.496247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.496247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.496247 (E_RNA)
where:
Base-Base interactions energy: -67.507
where: short stacking energy: -21.300
Base-Backbone interact. energy: -0.219
local terms energy: -45.770153
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.112
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: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -85.405661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.405661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.405661 (E_RNA)
where:
Base-Base interactions energy: -37.068
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.187
local terms energy: -48.150678
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -85.078534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078534 (E_RNA)
where:
Base-Base interactions energy: -49.946
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.311
local terms energy: -34.821713
where:
bonds (distance) C4'-P energy: -5.914
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -6.627
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -78.670063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.670063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.670063 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.004
local terms energy: -50.344550
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -62.388046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.388046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.388046 (E_RNA)
where:
Base-Base interactions energy: -17.974
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.138
local terms energy: -44.275558
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: 1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -177.954219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.954219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.954219 (E_RNA)
where:
Base-Base interactions energy: -112.794
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.438
local terms energy: -64.722269
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -15.737
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -171.826293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826293 (E_RNA)
where:
Base-Base interactions energy: -112.093
where: short stacking energy: -50.805
Base-Backbone interact. energy: -0.105
local terms energy: -59.628093
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -163.203252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.203252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.203252 (E_RNA)
where:
Base-Base interactions energy: -94.392
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.223
local terms energy: -68.588065
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -166.619030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.619030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.619030 (E_RNA)
where:
Base-Base interactions energy: -107.322
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.027
local terms energy: -59.269784
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -14.207
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: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -105.099799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.099799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.099799 (E_RNA)
where:
Base-Base interactions energy: -56.723
where: short stacking energy: -15.344
Base-Backbone interact. energy: -0.150
local terms energy: -48.227267
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -89.672076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.672076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.672076 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.074
local terms energy: -50.159448
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -10.331
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: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -88.357982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.357982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.357982 (E_RNA)
where:
Base-Base interactions energy: -40.274
where: short stacking energy: -18.639
Base-Backbone interact. energy: -0.170
local terms energy: -47.913752
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -10.328
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: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -98.056272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.056272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.056272 (E_RNA)
where:
Base-Base interactions energy: -42.787
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.185
local terms energy: -55.083376
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -7.684
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -79.440252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.440252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.440252 (E_RNA)
where:
Base-Base interactions energy: -32.432
where: short stacking energy: -26.904
Base-Backbone interact. energy: -0.028
local terms energy: -46.980676
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -69.160945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.160945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.160945 (E_RNA)
where:
Base-Base interactions energy: -27.272
where: short stacking energy: -19.071
Base-Backbone interact. energy: -0.295
local terms energy: -41.594464
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -7.033
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -172.014381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014381 (E_RNA)
where:
Base-Base interactions energy: -114.153
where: short stacking energy: -45.986
Base-Backbone interact. energy: -0.582
local terms energy: -57.279527
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -10.321
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: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -169.767543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.767543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.767543 (E_RNA)
where:
Base-Base interactions energy: -107.283
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.013
local terms energy: -62.471940
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -171.831513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831513 (E_RNA)
where:
Base-Base interactions energy: -102.598
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.836
local terms energy: -68.397353
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -168.634221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.634221 (E_RNA)
where:
Base-Base interactions energy: -106.436
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.002
local terms energy: -62.196524
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -87.343037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.343037 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -35.793
Base-Backbone interact. energy: -1.444
local terms energy: -42.922825
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -84.370981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370981 (E_RNA)
where:
Base-Base interactions energy: -25.627
where: short stacking energy: -27.127
Base-Backbone interact. energy: -0.500
local terms energy: -58.243543
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -11.549
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: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -86.086231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.086231 (E_RNA)
where:
Base-Base interactions energy: -34.935
where: short stacking energy: -19.138
Base-Backbone interact. energy: -0.724
local terms energy: -50.427205
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -0.748
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: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -76.507960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507960 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -19.209
Base-Backbone interact. energy: 0.100
local terms energy: -43.295874
where:
bonds (distance) C4'-P energy: -6.728
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -68.902930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.902930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.902930 (E_RNA)
where:
Base-Base interactions energy: -29.298
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.126
local terms energy: -39.479397
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -5.356
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -89.002871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.002871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.002871 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.261
local terms energy: -48.781155
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -4.857
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: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -192.104686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104686 (E_RNA)
where:
Base-Base interactions energy: -129.088
where: short stacking energy: -49.316
Base-Backbone interact. energy: -0.802
local terms energy: -62.214824
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -169.548809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.548809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.548809 (E_RNA)
where:
Base-Base interactions energy: -102.907
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.280
local terms energy: -66.361869
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.614
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: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -164.265326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.265326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.265326 (E_RNA)
where:
Base-Base interactions energy: -103.539
where: short stacking energy: -43.520
Base-Backbone interact. energy: -0.438
local terms energy: -60.287917
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -10.404
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -167.922412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.922412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.922412 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.728
local terms energy: -59.954226
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -98.129919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129919 (E_RNA)
where:
Base-Base interactions energy: -40.714
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.181
local terms energy: -57.234674
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -8.018
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: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -78.462357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462357 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.030
local terms energy: -50.318343
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -111.952412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.952412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.952412 (E_RNA)
where:
Base-Base interactions energy: -68.626
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.571
local terms energy: -42.755309
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -2.536
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: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -83.061154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061154 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -26.502
Base-Backbone interact. energy: 0.337
local terms energy: -51.608477
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -75.951259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.951259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.951259 (E_RNA)
where:
Base-Base interactions energy: -26.925
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.057
local terms energy: -48.969800
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -7.666
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: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -74.415075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.415075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.415075 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.231
local terms energy: -39.031081
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -176.489486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.489486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.489486 (E_RNA)
where:
Base-Base interactions energy: -112.114
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.003
local terms energy: -64.373107
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -177.913612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.913612 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.886
local terms energy: -60.630750
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.843
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: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -171.753001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.753001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.753001 (E_RNA)
where:
Base-Base interactions energy: -104.463
where: short stacking energy: -48.468
Base-Backbone interact. energy: -0.121
local terms energy: -67.168865
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -161.723436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.723436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.723436 (E_RNA)
where:
Base-Base interactions energy: -106.035
where: short stacking energy: -44.349
Base-Backbone interact. energy: -0.035
local terms energy: -55.653801
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -90.706599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.706599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.706599 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.137
local terms energy: -53.622583
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -4.580
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: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -95.573029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.573029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.573029 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -16.532
Base-Backbone interact. energy: -0.738
local terms energy: -45.926471
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.217
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: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -141.622485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.622485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.622485 (E_RNA)
where:
Base-Base interactions energy: -89.182
where: short stacking energy: -36.425
Base-Backbone interact. energy: -0.439
local terms energy: -52.002248
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -83.975015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975015 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -26.636
Base-Backbone interact. energy: -0.381
local terms energy: -53.053642
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -103.699416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.699416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.699416 (E_RNA)
where:
Base-Base interactions energy: -50.476
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.097
local terms energy: -53.125908
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.207329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207329 (E_RNA)
where:
Base-Base interactions energy: -44.399
where: short stacking energy: -21.260
Base-Backbone interact. energy: -0.069
local terms energy: -39.738548
where:
bonds (distance) C4'-P energy: -3.330
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -6.085
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -184.193644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193644 (E_RNA)
where:
Base-Base interactions energy: -114.778
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.417
local terms energy: -68.999213
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -15.520
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -176.526501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.526501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.526501 (E_RNA)
where:
Base-Base interactions energy: -120.218
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.279
local terms energy: -56.028644
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -163.617764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.617764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.617764 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -51.262
Base-Backbone interact. energy: -0.157
local terms energy: -63.251627
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.296
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: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -165.201635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.201635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.201635 (E_RNA)
where:
Base-Base interactions energy: -106.377
where: short stacking energy: -38.595
Base-Backbone interact. energy: -1.133
local terms energy: -57.692114
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -98.189288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.189288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.189288 (E_RNA)
where:
Base-Base interactions energy: -43.230
where: short stacking energy: -43.230
Base-Backbone interact. energy: 0.320
local terms energy: -55.279177
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -7.665
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -132.232715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.232715 (E_RNA)
where:
Base-Base interactions energy: -74.967
where: short stacking energy: -41.049
Base-Backbone interact. energy: -0.034
local terms energy: -57.231692
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -87.404550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404550 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -27.304
Base-Backbone interact. energy: -0.271
local terms energy: -52.772646
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.962
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: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -72.710794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.710794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.710794 (E_RNA)
where:
Base-Base interactions energy: -33.247
where: short stacking energy: -16.840
Base-Backbone interact. energy: 0.921
local terms energy: -40.384235
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -69.046844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.046844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.046844 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -25.712
Base-Backbone interact. energy: -0.359
local terms energy: -41.663968
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -3.284
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: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -70.452244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.452244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.452244 (E_RNA)
where:
Base-Base interactions energy: -21.374
where: short stacking energy: -14.356
Base-Backbone interact. energy: 0.044
local terms energy: -49.123073
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -178.428658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.428658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.428658 (E_RNA)
where:
Base-Base interactions energy: -117.442
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.505
local terms energy: -60.482299
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -176.611629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.611629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.611629 (E_RNA)
where:
Base-Base interactions energy: -111.424
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.151
local terms energy: -65.037385
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.787
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: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -177.096145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.096145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.096145 (E_RNA)
where:
Base-Base interactions energy: -109.412
where: short stacking energy: -45.709
Base-Backbone interact. energy: -1.116
local terms energy: -66.568071
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -8.199
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: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -188.484205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.484205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.484205 (E_RNA)
where:
Base-Base interactions energy: -121.273
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.417
local terms energy: -66.793510
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -152.837692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.837692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.837692 (E_RNA)
where:
Base-Base interactions energy: -99.586
where: short stacking energy: -38.052
Base-Backbone interact. energy: -0.082
local terms energy: -53.169718
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: 0.475
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -89.682829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682829 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.150
local terms energy: -58.636563
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -76.991763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991763 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -18.947
Base-Backbone interact. energy: 0.233
local terms energy: -46.581184
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -9.801
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: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -80.138839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138839 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -26.313
Base-Backbone interact. energy: -0.082
local terms energy: -53.744475
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -70.593712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.593712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.593712 (E_RNA)
where:
Base-Base interactions energy: -26.259
where: short stacking energy: -19.488
Base-Backbone interact. energy: 1.468
local terms energy: -45.803363
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: 1.346
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: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -70.990037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.990037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.990037 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.129
local terms energy: -39.794956
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -5.574
flat angles P-C4'-P energy: -8.195
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: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -186.697924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.697924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.697924 (E_RNA)
where:
Base-Base interactions energy: -112.673
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.086
local terms energy: -73.938740
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -166.949411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.949411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.949411 (E_RNA)
where:
Base-Base interactions energy: -106.055
where: short stacking energy: -49.982
Base-Backbone interact. energy: 1.966
local terms energy: -62.860185
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -178.457209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.457209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457209 (E_RNA)
where:
Base-Base interactions energy: -115.226
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.412
local terms energy: -62.819265
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -172.283049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.283049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283049 (E_RNA)
where:
Base-Base interactions energy: -105.032
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.394
local terms energy: -66.857008
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -17.859
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: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -147.276777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.276777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.276777 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -42.300
Base-Backbone interact. energy: -1.900
local terms energy: -51.808487
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -90.016169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.016169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.016169 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -35.091
Base-Backbone interact. energy: -0.129
local terms energy: -54.796407
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -9.321
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: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -84.982833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.982833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.982833 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -35.697
Base-Backbone interact. energy: -0.133
local terms energy: -49.153546
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -95.906967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.906967 (E_RNA)
where:
Base-Base interactions energy: -53.573
where: short stacking energy: -22.830
Base-Backbone interact. energy: 0.354
local terms energy: -42.688393
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -73.861061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.861061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.861061 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -20.400
Base-Backbone interact. energy: -0.853
local terms energy: -43.517800
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -3.703
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: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -66.988857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.988857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.988857 (E_RNA)
where:
Base-Base interactions energy: -24.087
where: short stacking energy: -21.104
Base-Backbone interact. energy: -0.432
local terms energy: -42.468905
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -184.570659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570659 (E_RNA)
where:
Base-Base interactions energy: -121.246
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.088
local terms energy: -63.237160
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -5.103
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -167.495582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.495582 (E_RNA)
where:
Base-Base interactions energy: -99.686
where: short stacking energy: -57.294
Base-Backbone interact. energy: -1.056
local terms energy: -66.753470
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.192
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: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -176.809293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.809293 (E_RNA)
where:
Base-Base interactions energy: -111.982
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.029
local terms energy: -64.798243
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -155.831740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.831740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.831740 (E_RNA)
where:
Base-Base interactions energy: -91.403
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.387
local terms energy: -64.041491
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -147.101107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.101107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.101107 (E_RNA)
where:
Base-Base interactions energy: -84.651
where: short stacking energy: -43.259
Base-Backbone interact. energy: -0.161
local terms energy: -62.289188
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -97.030042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.030042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.030042 (E_RNA)
where:
Base-Base interactions energy: -53.397
where: short stacking energy: -32.032
Base-Backbone interact. energy: -0.005
local terms energy: -43.628352
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -90.225818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.225818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.225818 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.301
local terms energy: -50.806333
where:
bonds (distance) C4'-P energy: -6.310
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -76.658278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.658278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.658278 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -25.257
Base-Backbone interact. energy: 6.009
local terms energy: -52.789724
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -71.178647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.178647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.178647 (E_RNA)
where:
Base-Base interactions energy: -27.167
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.088
local terms energy: -43.922859
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -72.066299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.066299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.066299 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -19.464
Base-Backbone interact. energy: 1.653
local terms energy: -44.309446
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -176.669741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.669741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.669741 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -48.278
Base-Backbone interact. energy: -0.150
local terms energy: -67.429188
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -181.562685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562685 (E_RNA)
where:
Base-Base interactions energy: -108.007
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.724
local terms energy: -72.830844
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -170.720620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.720620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.720620 (E_RNA)
where:
Base-Base interactions energy: -116.352
where: short stacking energy: -39.528
Base-Backbone interact. energy: -1.051
local terms energy: -53.318030
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.972
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: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -147.738164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.738164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.738164 (E_RNA)
where:
Base-Base interactions energy: -94.189
where: short stacking energy: -43.314
Base-Backbone interact. energy: -0.051
local terms energy: -53.498436
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -3.186
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: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -147.996918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.996918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.996918 (E_RNA)
where:
Base-Base interactions energy: -86.279
where: short stacking energy: -40.660
Base-Backbone interact. energy: -0.114
local terms energy: -61.604394
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -120.265169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.265169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.265169 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -31.533
Base-Backbone interact. energy: 0.328
local terms energy: -50.913363
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -86.238863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.238863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.238863 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -21.940
Base-Backbone interact. energy: 0.625
local terms energy: -51.658636
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -5.762
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: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -79.247496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.247496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.247496 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.054
local terms energy: -48.001440
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -5.624
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: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -69.846888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.846888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.846888 (E_RNA)
where:
Base-Base interactions energy: -23.171
where: short stacking energy: -23.171
Base-Backbone interact. energy: -0.025
local terms energy: -46.651298
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -9.062
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -80.483041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.483041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.483041 (E_RNA)
where:
Base-Base interactions energy: -27.043
where: short stacking energy: -25.697
Base-Backbone interact. energy: -0.208
local terms energy: -53.232723
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -3.837
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -176.446908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.446908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.446908 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -60.708
Base-Backbone interact. energy: 0.605
local terms energy: -60.475526
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -172.943663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.943663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.943663 (E_RNA)
where:
Base-Base interactions energy: -99.887
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.644
local terms energy: -72.412488
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.787
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: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -172.311422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.311422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.311422 (E_RNA)
where:
Base-Base interactions energy: -113.386
where: short stacking energy: -37.144
Base-Backbone interact. energy: -0.454
local terms energy: -58.472303
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -131.783426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.783426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.783426 (E_RNA)
where:
Base-Base interactions energy: -82.430
where: short stacking energy: -37.489
Base-Backbone interact. energy: 0.106
local terms energy: -49.460068
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -157.860337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.860337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.860337 (E_RNA)
where:
Base-Base interactions energy: -99.280
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.017
local terms energy: -58.563337
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -93.631561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.631561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.631561 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -34.878
Base-Backbone interact. energy: 0.001
local terms energy: -58.490518
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -87.072579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072579 (E_RNA)
where:
Base-Base interactions energy: -45.932
where: short stacking energy: -36.417
Base-Backbone interact. energy: 0.058
local terms energy: -41.198474
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -0.910
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -85.281186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.281186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.281186 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.209
local terms energy: -55.473882
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -70.079867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.079867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.079867 (E_RNA)
where:
Base-Base interactions energy: -23.324
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.016
local terms energy: -46.740150
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -66.774234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.774234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.774234 (E_RNA)
where:
Base-Base interactions energy: -21.809
where: short stacking energy: -15.920
Base-Backbone interact. energy: -0.005
local terms energy: -44.960152
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: 0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -188.695513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695513 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -44.208
Base-Backbone interact. energy: -1.143
local terms energy: -61.430070
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.664
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -180.000694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.000694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.000694 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.677
local terms energy: -62.268877
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -164.512750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.512750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.512750 (E_RNA)
where:
Base-Base interactions energy: -103.251
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.262
local terms energy: -60.999513
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -144.630777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.630777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.630777 (E_RNA)
where:
Base-Base interactions energy: -81.456
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.002
local terms energy: -63.173238
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -2.791
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -19.860
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -144.350200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.350200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.350200 (E_RNA)
where:
Base-Base interactions energy: -87.875
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.133
local terms energy: -56.341598
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -8.668
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: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -130.552130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.552130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.552130 (E_RNA)
where:
Base-Base interactions energy: -74.731
where: short stacking energy: -40.185
Base-Backbone interact. energy: -0.561
local terms energy: -55.259453
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -10.685
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -81.387417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387417 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -33.870
Base-Backbone interact. energy: 0.725
local terms energy: -46.909030
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.999
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -75.029077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.029077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.029077 (E_RNA)
where:
Base-Base interactions energy: -36.723
where: short stacking energy: -21.267
Base-Backbone interact. energy: 1.135
local terms energy: -39.441197
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -8.199
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: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -77.340662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.340662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.340662 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.133
local terms energy: -44.016789
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -4.562
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: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -63.521270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.521270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.521270 (E_RNA)
where:
Base-Base interactions energy: -23.495
where: short stacking energy: -21.628
Base-Backbone interact. energy: 2.891
local terms energy: -42.917628
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.964
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: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -180.295391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.295391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.295391 (E_RNA)
where:
Base-Base interactions energy: -111.749
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.192
local terms energy: -68.354956
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -180.971365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971365 (E_RNA)
where:
Base-Base interactions energy: -118.826
where: short stacking energy: -54.832
Base-Backbone interact. energy: 0.775
local terms energy: -62.920284
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -10.957
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: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -182.006316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.006316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.006316 (E_RNA)
where:
Base-Base interactions energy: -115.519
where: short stacking energy: -53.489
Base-Backbone interact. energy: -0.374
local terms energy: -66.113653
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -178.961949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.961949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.961949 (E_RNA)
where:
Base-Base interactions energy: -110.877
where: short stacking energy: -53.620
Base-Backbone interact. energy: -2.591
local terms energy: -65.494370
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -143.439089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.439089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.439089 (E_RNA)
where:
Base-Base interactions energy: -94.284
where: short stacking energy: -44.205
Base-Backbone interact. energy: -0.067
local terms energy: -49.088308
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -151.598454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.598454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.598454 (E_RNA)
where:
Base-Base interactions energy: -88.604
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.102
local terms energy: -62.892485
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -13.588
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: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -78.212906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212906 (E_RNA)
where:
Base-Base interactions energy: -40.253
where: short stacking energy: -26.303
Base-Backbone interact. energy: 2.873
local terms energy: -40.833680
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -77.762916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.762916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.762916 (E_RNA)
where:
Base-Base interactions energy: -35.305
where: short stacking energy: -28.163
Base-Backbone interact. energy: -0.294
local terms energy: -42.164451
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -7.571
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -75.700037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.700037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.700037 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -23.149
Base-Backbone interact. energy: 0.884
local terms energy: -52.433766
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -70.747000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.747000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.747000 (E_RNA)
where:
Base-Base interactions energy: -23.389
where: short stacking energy: -21.586
Base-Backbone interact. energy: -0.101
local terms energy: -47.257049
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -7.976
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: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -183.249463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.249463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.249463 (E_RNA)
where:
Base-Base interactions energy: -113.805
where: short stacking energy: -56.254
Base-Backbone interact. energy: -0.305
local terms energy: -69.139864
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -179.149550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.149550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.149550 (E_RNA)
where:
Base-Base interactions energy: -109.385
where: short stacking energy: -49.167
Base-Backbone interact. energy: 0.018
local terms energy: -69.782751
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -165.217835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.217835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.217835 (E_RNA)
where:
Base-Base interactions energy: -99.574
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.523
local terms energy: -65.120513
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -11.321
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: 195
Temperature: 1.050000
Total energy: -165.203475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.203475 (E_RNA)
where:
Base-Base interactions energy: -95.038
where: short stacking energy: -48.698
Base-Backbone interact. energy: -0.460
local terms energy: -69.705216
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -13.583
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: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -141.364558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364558 (E_RNA)
where:
Base-Base interactions energy: -85.066
where: short stacking energy: -47.875
Base-Backbone interact. energy: -0.518
local terms energy: -55.780469
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -151.926791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.926791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.926791 (E_RNA)
where:
Base-Base interactions energy: -94.798
where: short stacking energy: -51.249
Base-Backbone interact. energy: -0.158
local terms energy: -56.971673
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -90.868083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868083 (E_RNA)
where:
Base-Base interactions energy: -42.099
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.102
local terms energy: -48.667400
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -81.246852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246852 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -23.877
Base-Backbone interact. energy: 0.205
local terms energy: -48.202366
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -2.662
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: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -82.337892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.337892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.337892 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.056
local terms energy: -47.035660
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -4.020
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -71.356036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.356036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.356036 (E_RNA)
where:
Base-Base interactions energy: -26.515
where: short stacking energy: -23.363
Base-Backbone interact. energy: -0.103
local terms energy: -44.738296
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -186.047756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.047756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.047756 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -60.497
Base-Backbone interact. energy: -0.077
local terms energy: -56.672153
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -167.850835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.850835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.850835 (E_RNA)
where:
Base-Base interactions energy: -97.575
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.628
local terms energy: -69.648424
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -173.411598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.411598 (E_RNA)
where:
Base-Base interactions energy: -109.914
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.392
local terms energy: -63.105506
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -163.009814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.009814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.009814 (E_RNA)
where:
Base-Base interactions energy: -100.053
where: short stacking energy: -57.201
Base-Backbone interact. energy: 0.445
local terms energy: -63.402316
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.248
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: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -162.982067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.982067 (E_RNA)
where:
Base-Base interactions energy: -104.659
where: short stacking energy: -49.851
Base-Backbone interact. energy: -0.344
local terms energy: -57.979175
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -133.203225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.203225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.203225 (E_RNA)
where:
Base-Base interactions energy: -81.260
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.590
local terms energy: -51.353343
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -7.321
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -75.459698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.459698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.459698 (E_RNA)
where:
Base-Base interactions energy: -24.024
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.076
local terms energy: -51.359760
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -9.179
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: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -71.249851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.249851 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -25.223
Base-Backbone interact. energy: -0.091
local terms energy: -44.241140
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -1.971
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: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -85.248756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.248756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.248756 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.133
local terms energy: -52.346526
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -71.866323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.866323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.866323 (E_RNA)
where:
Base-Base interactions energy: -27.208
where: short stacking energy: -27.208
Base-Backbone interact. energy: -0.453
local terms energy: -44.204972
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -195.294988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.294988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294988 (E_RNA)
where:
Base-Base interactions energy: -132.533
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.524
local terms energy: -62.238199
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -185.132696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.132696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.132696 (E_RNA)
where:
Base-Base interactions energy: -115.566
where: short stacking energy: -68.377
Base-Backbone interact. energy: -0.002
local terms energy: -69.563867
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -157.241269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.241269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.241269 (E_RNA)
where:
Base-Base interactions energy: -97.590
where: short stacking energy: -48.748
Base-Backbone interact. energy: -0.335
local terms energy: -59.316240
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -164.485207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.485207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.485207 (E_RNA)
where:
Base-Base interactions energy: -98.792
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.356
local terms energy: -65.336520
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -15.169
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: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -148.033499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.033499 (E_RNA)
where:
Base-Base interactions energy: -89.531
where: short stacking energy: -41.636
Base-Backbone interact. energy: -0.192
local terms energy: -58.309966
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -10.719
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: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -141.076239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.076239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.076239 (E_RNA)
where:
Base-Base interactions energy: -82.199
where: short stacking energy: -35.302
Base-Backbone interact. energy: -0.083
local terms energy: -58.794252
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -6.077
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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -82.809111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.809111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.809111 (E_RNA)
where:
Base-Base interactions energy: -30.765
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.776
local terms energy: -51.268251
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -11.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -78.286926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.286926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.286926 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -24.531
Base-Backbone interact. energy: -0.112
local terms energy: -45.613868
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -4.925
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: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -94.624702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.624702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.624702 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -36.453
Base-Backbone interact. energy: 0.654
local terms energy: -58.826528
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -71.982456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.982456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.982456 (E_RNA)
where:
Base-Base interactions energy: -27.386
where: short stacking energy: -14.931
Base-Backbone interact. energy: -0.267
local terms energy: -44.330026
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -175.472361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.472361 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.671
local terms energy: -59.561285
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -13.416
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: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -186.264918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.264918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.264918 (E_RNA)
where:
Base-Base interactions energy: -119.711
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.613
local terms energy: -65.941343
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -182.000368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000368 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.171
local terms energy: -63.937373
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -157.595391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.595391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.595391 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.364
local terms energy: -61.089392
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -161.567607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.567607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.567607 (E_RNA)
where:
Base-Base interactions energy: -105.719
where: short stacking energy: -52.673
Base-Backbone interact. energy: -0.555
local terms energy: -55.293549
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -12.364
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -127.486619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.486619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.486619 (E_RNA)
where:
Base-Base interactions energy: -72.263
where: short stacking energy: -41.408
Base-Backbone interact. energy: -0.173
local terms energy: -55.050805
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.201
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: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -89.062160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.062160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.062160 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.149
local terms energy: -50.425880
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -90.779461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.779461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.779461 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -20.575
Base-Backbone interact. energy: -0.188
local terms energy: -51.435477
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -69.980144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.980144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.980144 (E_RNA)
where:
Base-Base interactions energy: -21.600
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.145
local terms energy: -48.235124
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -71.612104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.612104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.612104 (E_RNA)
where:
Base-Base interactions energy: -24.632
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.028
local terms energy: -46.952023
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -180.479158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.479158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.479158 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.585
local terms energy: -66.626936
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -190.514801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.514801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.514801 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.240
local terms energy: -66.114593
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -17.138
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -175.923097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.923097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.923097 (E_RNA)
where:
Base-Base interactions energy: -112.333
where: short stacking energy: -55.066
Base-Backbone interact. energy: 0.738
local terms energy: -64.328263
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -159.505524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.505524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.505524 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -51.332
Base-Backbone interact. energy: -0.210
local terms energy: -65.256558
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -145.702888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.702888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.702888 (E_RNA)
where:
Base-Base interactions energy: -89.755
where: short stacking energy: -37.925
Base-Backbone interact. energy: -0.746
local terms energy: -55.201384
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -6.893
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: 199
Temperature: 1.150000
Total energy: -154.256558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.256558 (E_RNA)
where:
Base-Base interactions energy: -93.403
where: short stacking energy: -52.946
Base-Backbone interact. energy: -0.092
local terms energy: -60.761693
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -87.974588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974588 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.135
local terms energy: -48.751508
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -6.777
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -84.735821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735821 (E_RNA)
where:
Base-Base interactions energy: -48.412
where: short stacking energy: -33.469
Base-Backbone interact. energy: -0.634
local terms energy: -35.689392
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -2.765
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -77.673092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.673092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.673092 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -33.620
Base-Backbone interact. energy: 0.509
local terms energy: -43.949220
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -4.360
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -65.603305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.603305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.603305 (E_RNA)
where:
Base-Base interactions energy: -19.855
where: short stacking energy: -19.855
Base-Backbone interact. energy: 0.323
local terms energy: -46.071383
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -185.580107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.580107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.580107 (E_RNA)
where:
Base-Base interactions energy: -115.841
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.369
local terms energy: -69.369914
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -8.486
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: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -177.568988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.568988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568988 (E_RNA)
where:
Base-Base interactions energy: -105.876
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.449
local terms energy: -71.243750
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -168.717848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.717848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.717848 (E_RNA)
where:
Base-Base interactions energy: -102.555
where: short stacking energy: -49.842
Base-Backbone interact. energy: -0.457
local terms energy: -65.706061
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -151.736585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.736585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.736585 (E_RNA)
where:
Base-Base interactions energy: -90.767
where: short stacking energy: -38.985
Base-Backbone interact. energy: 0.187
local terms energy: -61.156631
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -148.862309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.862309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.862309 (E_RNA)
where:
Base-Base interactions energy: -92.032
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.006
local terms energy: -56.824311
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -98.573319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.573319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.573319 (E_RNA)
where:
Base-Base interactions energy: -53.456
where: short stacking energy: -32.392
Base-Backbone interact. energy: 0.170
local terms energy: -45.287820
where:
bonds (distance) C4'-P energy: -6.388
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -75.859625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.859625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.859625 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -21.907
Base-Backbone interact. energy: -0.314
local terms energy: -50.740087
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -86.731039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731039 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -32.018
Base-Backbone interact. energy: 0.653
local terms energy: -48.971345
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -6.174
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -68.674424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.674424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.674424 (E_RNA)
where:
Base-Base interactions energy: -25.599
where: short stacking energy: -14.371
Base-Backbone interact. energy: -0.187
local terms energy: -42.888222
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -70.538074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.538074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.538074 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -20.846
Base-Backbone interact. energy: -0.456
local terms energy: -29.660555
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -2.782
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: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -190.443842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.443842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.443842 (E_RNA)
where:
Base-Base interactions energy: -125.677
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.186
local terms energy: -64.580200
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -176.568107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.568107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.568107 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.087
local terms energy: -62.820211
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -177.048298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.048298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.048298 (E_RNA)
where:
Base-Base interactions energy: -106.526
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.001
local terms energy: -70.522077
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -160.918371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.918371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.918371 (E_RNA)
where:
Base-Base interactions energy: -96.420
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.648
local terms energy: -63.850023
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -144.294293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.294293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.294293 (E_RNA)
where:
Base-Base interactions energy: -80.258
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.120
local terms energy: -63.916101
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -119.335207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.335207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.335207 (E_RNA)
where:
Base-Base interactions energy: -64.469
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.324
local terms energy: -54.542999
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -101.909960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.909960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.909960 (E_RNA)
where:
Base-Base interactions energy: -58.689
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.165
local terms energy: -43.055858
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -72.110887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.110887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.110887 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.156
local terms energy: -42.553556
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -73.183240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.183240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.183240 (E_RNA)
where:
Base-Base interactions energy: -23.091
where: short stacking energy: -24.691
Base-Backbone interact. energy: -0.313
local terms energy: -49.779943
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -66.343894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.343894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.343894 (E_RNA)
where:
Base-Base interactions energy: -23.594
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.234
local terms energy: -42.515647
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -180.911747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.911747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.911747 (E_RNA)
where:
Base-Base interactions energy: -112.094
where: short stacking energy: -51.931
Base-Backbone interact. energy: 1.611
local terms energy: -70.428928
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.921
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -180.385177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.385177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.385177 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.154
local terms energy: -60.896950
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -175.986527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.986527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.986527 (E_RNA)
where:
Base-Base interactions energy: -110.423
where: short stacking energy: -55.273
Base-Backbone interact. energy: 0.567
local terms energy: -66.130775
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.830
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -163.548212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548212 (E_RNA)
where:
Base-Base interactions energy: -104.445
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.159
local terms energy: -58.944406
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -137.145573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.145573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.145573 (E_RNA)
where:
Base-Base interactions energy: -78.176
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.010
local terms energy: -58.959244
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -137.488808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.488808 (E_RNA)
where:
Base-Base interactions energy: -80.610
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.998
local terms energy: -55.880278
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -101.789428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.789428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.789428 (E_RNA)
where:
Base-Base interactions energy: -53.328
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.366
local terms energy: -48.095542
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -4.021
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -87.519440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519440 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -30.183
Base-Backbone interact. energy: -0.075
local terms energy: -52.545845
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -86.362477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.362477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.362477 (E_RNA)
where:
Base-Base interactions energy: -29.754
where: short stacking energy: -24.813
Base-Backbone interact. energy: 0.032
local terms energy: -56.640149
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -7.473
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: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -64.949897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.949897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.949897 (E_RNA)
where:
Base-Base interactions energy: -23.602
where: short stacking energy: -23.602
Base-Backbone interact. energy: -0.260
local terms energy: -41.087803
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -186.904629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904629 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -60.539
Base-Backbone interact. energy: -0.209
local terms energy: -68.890372
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -8.918
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -176.272601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.272601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.272601 (E_RNA)
where:
Base-Base interactions energy: -112.014
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.360
local terms energy: -63.898850
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -178.018079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.018079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.018079 (E_RNA)
where:
Base-Base interactions energy: -115.970
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.000
local terms energy: -62.047583
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -145.802499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.802499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.802499 (E_RNA)
where:
Base-Base interactions energy: -86.264
where: short stacking energy: -42.999
Base-Backbone interact. energy: -0.132
local terms energy: -59.406381
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -155.537974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.537974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.537974 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -43.806
Base-Backbone interact. energy: 0.653
local terms energy: -55.316537
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -78.984500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.984500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.984500 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -23.566
Base-Backbone interact. energy: 0.900
local terms energy: -52.125387
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -5.864
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: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -115.218053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.218053 (E_RNA)
where:
Base-Base interactions energy: -74.651
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.208
local terms energy: -40.359193
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -83.222084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222084 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.015
local terms energy: -47.786362
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -8.040
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: 203
Temperature: 1.300000
Total energy: -70.239667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.239667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.239667 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -20.022
Base-Backbone interact. energy: -0.130
local terms energy: -34.429428
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -64.286122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.286122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.286122 (E_RNA)
where:
Base-Base interactions energy: -21.348
where: short stacking energy: -18.146
Base-Backbone interact. energy: -0.216
local terms energy: -42.722138
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -173.341544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.341544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.341544 (E_RNA)
where:
Base-Base interactions energy: -106.903
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.113
local terms energy: -66.325522
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -12.474
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: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -183.957065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.957065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.957065 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -55.911
Base-Backbone interact. energy: 0.273
local terms energy: -63.218441
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.984
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: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -172.606254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.606254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.606254 (E_RNA)
where:
Base-Base interactions energy: -110.180
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.149
local terms energy: -62.277706
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.829
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: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -157.760323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.760323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.760323 (E_RNA)
where:
Base-Base interactions energy: -96.600
where: short stacking energy: -56.372
Base-Backbone interact. energy: 0.647
local terms energy: -61.807974
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -166.570412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.570412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.570412 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -51.177
Base-Backbone interact. energy: -0.925
local terms energy: -66.798822
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -107.205638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.205638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.205638 (E_RNA)
where:
Base-Base interactions energy: -56.308
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.093
local terms energy: -50.805038
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -107.216814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.216814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.216814 (E_RNA)
where:
Base-Base interactions energy: -63.128
where: short stacking energy: -35.804
Base-Backbone interact. energy: 1.526
local terms energy: -45.614376
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -9.638
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -8.754
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: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -80.862541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.862541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.862541 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -17.393
Base-Backbone interact. energy: 0.054
local terms energy: -47.200088
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -79.600886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600886 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.147
local terms energy: -51.001710
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -5.595
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -7.238
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: 204
Temperature: 1.350000
Total energy: -64.869508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.869508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.869508 (E_RNA)
where:
Base-Base interactions energy: -23.179
where: short stacking energy: -23.179
Base-Backbone interact. energy: -0.148
local terms energy: -41.542633
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.380
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: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -174.288242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.288242 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.011
local terms energy: -61.905342
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -177.878287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.878287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.878287 (E_RNA)
where:
Base-Base interactions energy: -113.194
where: short stacking energy: -49.772
Base-Backbone interact. energy: -1.032
local terms energy: -63.651772
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -14.026
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: 205
Temperature: 1.000000
Total energy: -170.515527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.515527 (E_RNA)
where:
Base-Base interactions energy: -101.114
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.791
local terms energy: -68.610125
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.762
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: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -165.526782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.526782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.526782 (E_RNA)
where:
Base-Base interactions energy: -104.964
where: short stacking energy: -52.208
Base-Backbone interact. energy: 1.603
local terms energy: -62.166604
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.550
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: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -139.266190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.266190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.266190 (E_RNA)
where:
Base-Base interactions energy: -79.977
where: short stacking energy: -48.901
Base-Backbone interact. energy: -0.040
local terms energy: -59.249119
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -105.913394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.913394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.913394 (E_RNA)
where:
Base-Base interactions energy: -46.548
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.175
local terms energy: -59.190432
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -105.810307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.810307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.810307 (E_RNA)
where:
Base-Base interactions energy: -57.912
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.288
local terms energy: -47.610931
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -85.107240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107240 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -33.535
Base-Backbone interact. energy: -0.782
local terms energy: -50.789996
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -89.059673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059673 (E_RNA)
where:
Base-Base interactions energy: -38.867
where: short stacking energy: -22.969
Base-Backbone interact. energy: -0.121
local terms energy: -50.071624
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -70.040218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.040218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.040218 (E_RNA)
where:
Base-Base interactions energy: -22.717
where: short stacking energy: -20.777
Base-Backbone interact. energy: -0.047
local terms energy: -47.276740
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: 3.737
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: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -186.473251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.473251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.473251 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.697
local terms energy: -75.852555
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -180.025290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.025290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.025290 (E_RNA)
where:
Base-Base interactions energy: -109.164
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.002
local terms energy: -70.859225
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.624
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: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -170.362119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.362119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.362119 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.047
local terms energy: -66.605729
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.526
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: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -163.723721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.723721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.723721 (E_RNA)
where:
Base-Base interactions energy: -106.395
where: short stacking energy: -38.564
Base-Backbone interact. energy: -1.290
local terms energy: -56.038849
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -8.951
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -150.627894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.627894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.627894 (E_RNA)
where:
Base-Base interactions energy: -87.959
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.114
local terms energy: -62.554815
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.079
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: 206
Temperature: 1.150000
Total energy: -90.870956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870956 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.000
local terms energy: -54.027782
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -123.252118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.252118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.252118 (E_RNA)
where:
Base-Base interactions energy: -73.499
where: short stacking energy: -40.974
Base-Backbone interact. energy: -0.018
local terms energy: -49.735230
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -76.121694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.121694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.121694 (E_RNA)
where:
Base-Base interactions energy: -25.831
where: short stacking energy: -25.831
Base-Backbone interact. energy: -0.090
local terms energy: -50.200815
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -69.668402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.668402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.668402 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.113
local terms energy: -39.529087
where:
bonds (distance) C4'-P energy: -5.804
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -72.229403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.229403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.229403 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.174
local terms energy: -40.709480
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -188.577693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.577693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577693 (E_RNA)
where:
Base-Base interactions energy: -115.846
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.625
local terms energy: -72.106454
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -174.549983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.549983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.549983 (E_RNA)
where:
Base-Base interactions energy: -103.676
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.145
local terms energy: -70.728353
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.317
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: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -172.731748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.731748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.731748 (E_RNA)
where:
Base-Base interactions energy: -102.001
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.315
local terms energy: -70.415562
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -144.911907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.911907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.911907 (E_RNA)
where:
Base-Base interactions energy: -81.956
where: short stacking energy: -43.781
Base-Backbone interact. energy: -1.182
local terms energy: -61.773238
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -12.161
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -172.734990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.734990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734990 (E_RNA)
where:
Base-Base interactions energy: -113.388
where: short stacking energy: -48.833
Base-Backbone interact. energy: 0.301
local terms energy: -59.648312
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -13.749
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -131.086177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.086177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.086177 (E_RNA)
where:
Base-Base interactions energy: -79.132
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.252
local terms energy: -51.702338
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -0.668
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -87.831416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.831416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.831416 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -30.538
Base-Backbone interact. energy: -0.485
local terms energy: -52.488779
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -6.458
flat angles P-C4'-P energy: -7.003
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: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -70.694431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.694431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.694431 (E_RNA)
where:
Base-Base interactions energy: -24.490
where: short stacking energy: -19.307
Base-Backbone interact. energy: -0.084
local terms energy: -46.120918
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: 4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -70.124633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.124633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.124633 (E_RNA)
where:
Base-Base interactions energy: -26.706
where: short stacking energy: -26.559
Base-Backbone interact. energy: -0.396
local terms energy: -43.022747
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -70.934302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.934302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.934302 (E_RNA)
where:
Base-Base interactions energy: -24.217
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.077
local terms energy: -46.639746
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.217
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: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -177.472964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.472964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.472964 (E_RNA)
where:
Base-Base interactions energy: -107.378
where: short stacking energy: -51.139
Base-Backbone interact. energy: -1.919
local terms energy: -68.175564
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -13.415
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -177.099393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.099393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.099393 (E_RNA)
where:
Base-Base interactions energy: -104.484
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.866
local terms energy: -71.749393
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.443
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: 208
Temperature: 1.000000
Total energy: -168.009794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.009794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.009794 (E_RNA)
where:
Base-Base interactions energy: -105.166
where: short stacking energy: -47.973
Base-Backbone interact. energy: -0.796
local terms energy: -62.048262
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -149.739129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.739129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.739129 (E_RNA)
where:
Base-Base interactions energy: -90.335
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.153
local terms energy: -59.251013
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -165.635067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.635067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.635067 (E_RNA)
where:
Base-Base interactions energy: -110.767
where: short stacking energy: -56.155
Base-Backbone interact. energy: 0.024
local terms energy: -54.892325
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -130.719715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.719715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.719715 (E_RNA)
where:
Base-Base interactions energy: -77.302
where: short stacking energy: -44.480
Base-Backbone interact. energy: -0.105
local terms energy: -53.312050
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -82.929362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929362 (E_RNA)
where:
Base-Base interactions energy: -38.419
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.003
local terms energy: -44.507628
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -97.878393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.878393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.878393 (E_RNA)
where:
Base-Base interactions energy: -59.316
where: short stacking energy: -22.620
Base-Backbone interact. energy: 0.347
local terms energy: -38.909511
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -4.065
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: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -73.221061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.221061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.221061 (E_RNA)
where:
Base-Base interactions energy: -25.877
where: short stacking energy: -15.285
Base-Backbone interact. energy: -0.099
local terms energy: -47.244713
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -6.063
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: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -63.661089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.661089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.661089 (E_RNA)
where:
Base-Base interactions energy: -19.488
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.167
local terms energy: -44.005513
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -178.131689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.131689 (E_RNA)
where:
Base-Base interactions energy: -114.133
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.880
local terms energy: -63.117868
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -183.253578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.253578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.253578 (E_RNA)
where:
Base-Base interactions energy: -117.195
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.415
local terms energy: -65.643117
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -159.813917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813917 (E_RNA)
where:
Base-Base interactions energy: -96.285
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.100
local terms energy: -63.429124
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -11.876
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: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -154.374855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.374855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.374855 (E_RNA)
where:
Base-Base interactions energy: -98.592
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.157
local terms energy: -55.625463
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -145.292155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.292155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.292155 (E_RNA)
where:
Base-Base interactions energy: -87.283
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.002
local terms energy: -58.007621
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -15.647
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -132.656645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.656645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.656645 (E_RNA)
where:
Base-Base interactions energy: -82.817
where: short stacking energy: -44.421
Base-Backbone interact. energy: -0.566
local terms energy: -49.272756
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.410
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: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -85.950003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.950003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.950003 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.028
local terms energy: -44.084671
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -2.957
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -72.627461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.627461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.627461 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -20.269
Base-Backbone interact. energy: -0.147
local terms energy: -36.232060
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -79.115412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.115412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.115412 (E_RNA)
where:
Base-Base interactions energy: -29.730
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.038
local terms energy: -49.347469
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -5.040
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: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -74.304946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.304946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.304946 (E_RNA)
where:
Base-Base interactions energy: -21.379
where: short stacking energy: -16.995
Base-Backbone interact. energy: -0.310
local terms energy: -52.615330
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -11.283
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: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -177.370298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.370298 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.532
local terms energy: -64.355922
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -170.276515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.276515 (E_RNA)
where:
Base-Base interactions energy: -110.608
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.130
local terms energy: -59.537819
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -165.192566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.192566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.192566 (E_RNA)
where:
Base-Base interactions energy: -105.603
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.373
local terms energy: -59.216421
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -159.979676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.979676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.979676 (E_RNA)
where:
Base-Base interactions energy: -103.947
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.620
local terms energy: -55.413061
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -140.764103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.764103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.764103 (E_RNA)
where:
Base-Base interactions energy: -81.887
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.150
local terms energy: -58.726749
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -12.664
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: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -118.959922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.959922 (E_RNA)
where:
Base-Base interactions energy: -73.324
where: short stacking energy: -32.318
Base-Backbone interact. energy: 0.487
local terms energy: -46.122828
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -87.133080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.133080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.133080 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.004
local terms energy: -49.987520
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -10.409
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: 210
Temperature: 1.250000
Total energy: -79.502618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.502618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.502618 (E_RNA)
where:
Base-Base interactions energy: -27.639
where: short stacking energy: -25.131
Base-Backbone interact. energy: -0.350
local terms energy: -51.513814
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -81.917117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.917117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.917117 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -18.335
Base-Backbone interact. energy: -0.420
local terms energy: -44.968585
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -66.079988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.079988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.079988 (E_RNA)
where:
Base-Base interactions energy: -20.012
where: short stacking energy: -19.431
Base-Backbone interact. energy: -0.178
local terms energy: -45.890051
where:
bonds (distance) C4'-P energy: -6.834
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -182.810579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.810579 (E_RNA)
where:
Base-Base interactions energy: -112.542
where: short stacking energy: -58.170
Base-Backbone interact. energy: 1.311
local terms energy: -71.579309
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -166.409531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.409531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.409531 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -42.575
Base-Backbone interact. energy: -0.433
local terms energy: -62.920979
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -12.478
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: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -160.736130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.736130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.736130 (E_RNA)
where:
Base-Base interactions energy: -94.681
where: short stacking energy: -51.459
Base-Backbone interact. energy: 0.453
local terms energy: -66.507929
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -14.588
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: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -160.957136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.957136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.957136 (E_RNA)
where:
Base-Base interactions energy: -101.570
where: short stacking energy: -48.632
Base-Backbone interact. energy: 1.575
local terms energy: -60.961574
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -132.102733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.102733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.102733 (E_RNA)
where:
Base-Base interactions energy: -76.989
where: short stacking energy: -43.130
Base-Backbone interact. energy: -0.078
local terms energy: -55.035577
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -83.353184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.353184 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -16.378
Base-Backbone interact. energy: -0.082
local terms energy: -43.413236
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -9.073
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: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -118.664648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.664648 (E_RNA)
where:
Base-Base interactions energy: -70.534
where: short stacking energy: -39.137
Base-Backbone interact. energy: -0.072
local terms energy: -48.058547
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -9.411
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: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -88.515915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.515915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.515915 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.097
local terms energy: -45.160100
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -78.180396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180396 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -28.299
Base-Backbone interact. energy: -0.624
local terms energy: -45.897136
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -69.548515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.548515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.548515 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -30.360
Base-Backbone interact. energy: -0.870
local terms energy: -40.536181
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: 5.759
tors. eta vs tors. theta energy: -6.845
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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -190.338114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.338114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.338114 (E_RNA)
where:
Base-Base interactions energy: -117.855
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.753
local terms energy: -71.729687
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.454
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -184.862404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.862404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862404 (E_RNA)
where:
Base-Base interactions energy: -120.322
where: short stacking energy: -58.517
Base-Backbone interact. energy: -1.006
local terms energy: -63.534462
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -170.977087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.977087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.977087 (E_RNA)
where:
Base-Base interactions energy: -99.113
where: short stacking energy: -48.143
Base-Backbone interact. energy: -0.284
local terms energy: -71.580471
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -173.839911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.839911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.839911 (E_RNA)
where:
Base-Base interactions energy: -107.796
where: short stacking energy: -49.223
Base-Backbone interact. energy: 0.143
local terms energy: -66.186227
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -100.250796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250796 (E_RNA)
where:
Base-Base interactions energy: -57.442
where: short stacking energy: -28.489
Base-Backbone interact. energy: 0.745
local terms energy: -43.553062
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -2.103
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -147.766143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.766143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.766143 (E_RNA)
where:
Base-Base interactions energy: -90.005
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.191
local terms energy: -57.570003
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -92.226360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226360 (E_RNA)
where:
Base-Base interactions energy: -49.043
where: short stacking energy: -33.059
Base-Backbone interact. energy: 1.052
local terms energy: -44.235222
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -2.927
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: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -84.588435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588435 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -22.876
Base-Backbone interact. energy: 0.231
local terms energy: -38.548435
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -5.911
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -83.742368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742368 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.136
local terms energy: -49.937005
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -7.547
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.640750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.640750 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.156
local terms energy: -40.978315
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -188.742926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.742926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.742926 (E_RNA)
where:
Base-Base interactions energy: -116.222
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.001
local terms energy: -72.519939
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -169.583389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.583389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.583389 (E_RNA)
where:
Base-Base interactions energy: -102.601
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.015
local terms energy: -66.967670
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -8.551
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: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -157.356329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.356329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.356329 (E_RNA)
where:
Base-Base interactions energy: -104.826
where: short stacking energy: -46.408
Base-Backbone interact. energy: 0.670
local terms energy: -53.199909
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -166.032420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032420 (E_RNA)
where:
Base-Base interactions energy: -95.871
where: short stacking energy: -47.713
Base-Backbone interact. energy: -0.619
local terms energy: -69.542964
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -14.008
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: 213
Temperature: 1.100000
Total energy: -136.229550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.229550 (E_RNA)
where:
Base-Base interactions energy: -77.961
where: short stacking energy: -41.886
Base-Backbone interact. energy: -0.211
local terms energy: -58.058259
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -10.971
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -116.510843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.510843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.510843 (E_RNA)
where:
Base-Base interactions energy: -62.706
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.055
local terms energy: -53.749877
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -75.528031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.528031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.528031 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.249
local terms energy: -48.945683
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -78.658288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.658288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.658288 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.205
local terms energy: -48.169909
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -81.303879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303879 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.001
local terms energy: -46.378203
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -65.987223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.987223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.987223 (E_RNA)
where:
Base-Base interactions energy: -19.401
where: short stacking energy: -13.538
Base-Backbone interact. energy: -0.191
local terms energy: -46.395200
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.045
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: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -188.571678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.571678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.571678 (E_RNA)
where:
Base-Base interactions energy: -116.780
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.224
local terms energy: -71.567446
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -165.685163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.685163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.685163 (E_RNA)
where:
Base-Base interactions energy: -103.146
where: short stacking energy: -50.582
Base-Backbone interact. energy: -0.298
local terms energy: -62.241038
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -12.219
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -167.993000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.993000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.993000 (E_RNA)
where:
Base-Base interactions energy: -99.892
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.413
local terms energy: -67.688069
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -165.331622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331622 (E_RNA)
where:
Base-Base interactions energy: -101.612
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.941
local terms energy: -62.778423
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -112.652038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.652038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.652038 (E_RNA)
where:
Base-Base interactions energy: -65.709
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.134
local terms energy: -46.809643
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -6.905
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: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -141.793115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.793115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.793115 (E_RNA)
where:
Base-Base interactions energy: -81.947
where: short stacking energy: -39.550
Base-Backbone interact. energy: -1.292
local terms energy: -58.554038
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -81.340146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340146 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -24.289
Base-Backbone interact. energy: 0.723
local terms energy: -39.125134
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -3.224
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: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -80.367628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.367628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.367628 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -15.874
Base-Backbone interact. energy: -0.338
local terms energy: -48.689169
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.834859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.834859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.834859 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.177
local terms energy: -53.697358
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -8.496
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: 214
Temperature: 1.350000
Total energy: -68.535151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.535151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.535151 (E_RNA)
where:
Base-Base interactions energy: -26.122
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.046
local terms energy: -42.367672
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.821
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: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -178.311683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.311683 (E_RNA)
where:
Base-Base interactions energy: -111.509
where: short stacking energy: -58.772
Base-Backbone interact. energy: -0.777
local terms energy: -66.025309
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -165.154092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.154092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.154092 (E_RNA)
where:
Base-Base interactions energy: -102.669
where: short stacking energy: -56.159
Base-Backbone interact. energy: 0.156
local terms energy: -62.641754
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -168.071689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.071689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.071689 (E_RNA)
where:
Base-Base interactions energy: -103.359
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.006
local terms energy: -64.707557
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -159.260569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.260569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.260569 (E_RNA)
where:
Base-Base interactions energy: -99.033
where: short stacking energy: -43.625
Base-Backbone interact. energy: -0.159
local terms energy: -60.068124
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -12.290
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: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -114.088747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.088747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.088747 (E_RNA)
where:
Base-Base interactions energy: -55.103
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.165
local terms energy: -58.821090
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -8.815
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: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -136.619441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.619441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.619441 (E_RNA)
where:
Base-Base interactions energy: -82.304
where: short stacking energy: -37.408
Base-Backbone interact. energy: -0.058
local terms energy: -54.257387
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -6.230
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: 215
Temperature: 1.200000
Total energy: -78.427209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.427209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.427209 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.022
local terms energy: -44.548802
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -2.733
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: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -94.622654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.622654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.622654 (E_RNA)
where:
Base-Base interactions energy: -39.344
where: short stacking energy: -24.971
Base-Backbone interact. energy: 2.340
local terms energy: -57.617927
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -76.955419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.955419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.955419 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -29.565
Base-Backbone interact. energy: 0.430
local terms energy: -46.065978
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -74.645857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.645857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.645857 (E_RNA)
where:
Base-Base interactions energy: -22.213
where: short stacking energy: -13.314
Base-Backbone interact. energy: -0.047
local terms energy: -52.385917
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -178.107155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.107155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.107155 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -53.976
Base-Backbone interact. energy: -1.726
local terms energy: -69.733919
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -11.161
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: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -176.788496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.788496 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.354
local terms energy: -63.601597
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -8.599
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: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -169.243117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.243117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.243117 (E_RNA)
where:
Base-Base interactions energy: -111.076
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.037
local terms energy: -58.129830
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -174.045892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.045892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.045892 (E_RNA)
where:
Base-Base interactions energy: -107.393
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.453
local terms energy: -66.200501
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -148.012064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.012064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.012064 (E_RNA)
where:
Base-Base interactions energy: -98.793
where: short stacking energy: -40.607
Base-Backbone interact. energy: -0.312
local terms energy: -48.907259
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -123.342594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.342594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.342594 (E_RNA)
where:
Base-Base interactions energy: -74.199
where: short stacking energy: -33.674
Base-Backbone interact. energy: 0.457
local terms energy: -49.600203
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -94.812579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.812579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.812579 (E_RNA)
where:
Base-Base interactions energy: -52.345
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.096
local terms energy: -42.371475
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -4.703
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: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -65.015129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.015129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.015129 (E_RNA)
where:
Base-Base interactions energy: -26.235
where: short stacking energy: -14.710
Base-Backbone interact. energy: -0.052
local terms energy: -38.727775
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: 2.289
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: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -78.736200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.736200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.736200 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -24.094
Base-Backbone interact. energy: -0.202
local terms energy: -47.495656
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -65.525054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.525054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.525054 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -25.317
Base-Backbone interact. energy: -0.110
local terms energy: -37.535100
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -183.009097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.009097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.009097 (E_RNA)
where:
Base-Base interactions energy: -115.707
where: short stacking energy: -50.277
Base-Backbone interact. energy: 1.089
local terms energy: -68.390657
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -16.324
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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -167.226100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.226100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.226100 (E_RNA)
where:
Base-Base interactions energy: -104.876
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.172
local terms energy: -62.178287
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -175.647336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.647336 (E_RNA)
where:
Base-Base interactions energy: -109.874
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.310
local terms energy: -65.463643
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -152.833221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.833221 (E_RNA)
where:
Base-Base interactions energy: -104.542
where: short stacking energy: -46.027
Base-Backbone interact. energy: -0.462
local terms energy: -47.829571
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -166.809954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809954 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.633
local terms energy: -55.293493
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -91.300684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.300684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.300684 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.856
Base-Backbone interact. energy: -0.028
local terms energy: -56.415986
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -81.499242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499242 (E_RNA)
where:
Base-Base interactions energy: -30.691
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.093
local terms energy: -50.716151
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -81.190025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.190025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.190025 (E_RNA)
where:
Base-Base interactions energy: -24.010
where: short stacking energy: -20.805
Base-Backbone interact. energy: -0.041
local terms energy: -57.139570
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -3.222
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -79.712896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.712896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.712896 (E_RNA)
where:
Base-Base interactions energy: -35.932
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.003
local terms energy: -43.778541
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -5.020
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -70.594225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.594225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.594225 (E_RNA)
where:
Base-Base interactions energy: -25.446
where: short stacking energy: -25.446
Base-Backbone interact. energy: -0.181
local terms energy: -44.967057
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -7.601
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -170.581001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.581001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.581001 (E_RNA)
where:
Base-Base interactions energy: -105.362
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.791
local terms energy: -64.427897
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -177.959655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959655 (E_RNA)
where:
Base-Base interactions energy: -117.974
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.227
local terms energy: -59.758840
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.753
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -167.245551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.245551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.245551 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.529
local terms energy: -68.055879
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -142.279826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.279826 (E_RNA)
where:
Base-Base interactions energy: -82.164
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.008
local terms energy: -60.108111
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -160.689768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.689768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.689768 (E_RNA)
where:
Base-Base interactions energy: -98.451
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.006
local terms energy: -62.231868
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -109.433583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.433583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.433583 (E_RNA)
where:
Base-Base interactions energy: -62.237
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.305
local terms energy: -46.891539
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -0.748
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -90.872457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872457 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.087
local terms energy: -47.870384
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -8.523
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -76.609285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.609285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.609285 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.100
local terms energy: -47.844145
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -5.907
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: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -81.403264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403264 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -33.321
Base-Backbone interact. energy: -0.200
local terms energy: -47.882449
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -73.412706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.412706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.412706 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -28.438
Base-Backbone interact. energy: -0.118
local terms energy: -36.824134
where:
bonds (distance) C4'-P energy: -6.380
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -170.949646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949646 (E_RNA)
where:
Base-Base interactions energy: -103.087
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.868
local terms energy: -66.994434
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -14.107
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: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -177.655378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.655378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.655378 (E_RNA)
where:
Base-Base interactions energy: -110.644
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.280
local terms energy: -66.731526
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -184.193147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193147 (E_RNA)
where:
Base-Base interactions energy: -112.468
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.007
local terms energy: -71.718678
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -159.233548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.233548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.233548 (E_RNA)
where:
Base-Base interactions energy: -92.487
where: short stacking energy: -47.314
Base-Backbone interact. energy: -0.417
local terms energy: -66.328906
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -141.358572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.358572 (E_RNA)
where:
Base-Base interactions energy: -83.593
where: short stacking energy: -39.164
Base-Backbone interact. energy: 0.687
local terms energy: -58.452840
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -96.073571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.073571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.073571 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -30.150
Base-Backbone interact. energy: 0.124
local terms energy: -56.213287
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.859
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: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -101.150516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.150516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.150516 (E_RNA)
where:
Base-Base interactions energy: -49.212
where: short stacking energy: -45.592
Base-Backbone interact. energy: -0.006
local terms energy: -51.932485
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -77.347058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.347058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.347058 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -21.557
Base-Backbone interact. energy: 0.262
local terms energy: -50.005007
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -81.111321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.111321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.111321 (E_RNA)
where:
Base-Base interactions energy: -41.621
where: short stacking energy: -20.225
Base-Backbone interact. energy: -0.453
local terms energy: -39.037922
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -76.964584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.964584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.964584 (E_RNA)
where:
Base-Base interactions energy: -24.536
where: short stacking energy: -24.536
Base-Backbone interact. energy: -0.169
local terms energy: -52.260156
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -167.705428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.705428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.705428 (E_RNA)
where:
Base-Base interactions energy: -100.430
where: short stacking energy: -45.290
Base-Backbone interact. energy: -0.941
local terms energy: -66.334889
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -169.737940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.737940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.737940 (E_RNA)
where:
Base-Base interactions energy: -100.804
where: short stacking energy: -57.806
Base-Backbone interact. energy: -0.159
local terms energy: -68.774189
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -163.890857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.890857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.890857 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.663
local terms energy: -56.288561
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -10.176
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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -159.494330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.494330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.494330 (E_RNA)
where:
Base-Base interactions energy: -100.324
where: short stacking energy: -50.667
Base-Backbone interact. energy: -0.603
local terms energy: -58.567421
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -92.516068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.516068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.516068 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -39.454
Base-Backbone interact. energy: 0.219
local terms energy: -53.280699
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -8.671
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -133.106728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.106728 (E_RNA)
where:
Base-Base interactions energy: -77.401
where: short stacking energy: -47.250
Base-Backbone interact. energy: -0.001
local terms energy: -55.703863
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -90.736461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736461 (E_RNA)
where:
Base-Base interactions energy: -43.775
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.117
local terms energy: -46.844633
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -7.624
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: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -75.789444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.789444 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -20.952
Base-Backbone interact. energy: -0.248
local terms energy: -39.788708
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: 1.599
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: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -75.009930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.009930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.009930 (E_RNA)
where:
Base-Base interactions energy: -28.126
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.235
local terms energy: -46.648563
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -68.566511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.566511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.566511 (E_RNA)
where:
Base-Base interactions energy: -19.967
where: short stacking energy: -15.937
Base-Backbone interact. energy: -0.335
local terms energy: -48.264841
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -172.666679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.666679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.666679 (E_RNA)
where:
Base-Base interactions energy: -102.159
where: short stacking energy: -61.311
Base-Backbone interact. energy: -1.076
local terms energy: -69.431607
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -183.588341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.588341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.588341 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -57.901
Base-Backbone interact. energy: -1.424
local terms energy: -55.967079
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -172.763318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.763318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.763318 (E_RNA)
where:
Base-Base interactions energy: -116.672
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.779
local terms energy: -55.311950
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -157.859282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.859282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.859282 (E_RNA)
where:
Base-Base interactions energy: -100.869
where: short stacking energy: -47.581
Base-Backbone interact. energy: 0.926
local terms energy: -57.916815
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -114.982158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.982158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.982158 (E_RNA)
where:
Base-Base interactions energy: -61.912
where: short stacking energy: -46.561
Base-Backbone interact. energy: -0.347
local terms energy: -52.723631
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.200
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: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -131.355985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.355985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.355985 (E_RNA)
where:
Base-Base interactions energy: -81.605
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.614
local terms energy: -49.137277
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -95.271131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.271131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.271131 (E_RNA)
where:
Base-Base interactions energy: -48.377
where: short stacking energy: -23.795
Base-Backbone interact. energy: 0.639
local terms energy: -47.532930
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -6.256
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: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -79.767990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767990 (E_RNA)
where:
Base-Base interactions energy: -28.674
where: short stacking energy: -28.674
Base-Backbone interact. energy: 0.230
local terms energy: -51.323906
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -6.761
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: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -69.345708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.345708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.345708 (E_RNA)
where:
Base-Base interactions energy: -22.341
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.053
local terms energy: -46.952462
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -1.798
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: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -74.941385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.941385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.941385 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -12.167
Base-Backbone interact. energy: -0.450
local terms energy: -38.772564
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -7.741
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: 222
Temperature: 0.900000
Total energy: -173.699873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.699873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.699873 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.433
local terms energy: -71.845806
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -176.056036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.056036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.056036 (E_RNA)
where:
Base-Base interactions energy: -103.091
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.012
local terms energy: -72.952996
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -161.788351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.788351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.788351 (E_RNA)
where:
Base-Base interactions energy: -96.035
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.657
local terms energy: -65.096981
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -160.191748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.191748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.191748 (E_RNA)
where:
Base-Base interactions energy: -94.700
where: short stacking energy: -53.263
Base-Backbone interact. energy: -0.020
local terms energy: -65.471652
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.826
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: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -144.826030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.826030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.826030 (E_RNA)
where:
Base-Base interactions energy: -93.441
where: short stacking energy: -36.659
Base-Backbone interact. energy: 0.582
local terms energy: -51.967095
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -103.008242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.008242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.008242 (E_RNA)
where:
Base-Base interactions energy: -49.458
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.191
local terms energy: -53.358798
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.547
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: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -115.339655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.339655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.339655 (E_RNA)
where:
Base-Base interactions energy: -58.907
where: short stacking energy: -32.965
Base-Backbone interact. energy: -0.384
local terms energy: -56.048696
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -77.794888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.794888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.794888 (E_RNA)
where:
Base-Base interactions energy: -26.062
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.005
local terms energy: -51.727632
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -76.623912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.623912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.623912 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -24.599
Base-Backbone interact. energy: -0.118
local terms energy: -43.019860
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -76.515291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515291 (E_RNA)
where:
Base-Base interactions energy: -27.935
where: short stacking energy: -25.589
Base-Backbone interact. energy: 0.158
local terms energy: -48.738417
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -179.129843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.129843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.129843 (E_RNA)
where:
Base-Base interactions energy: -109.564
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.607
local terms energy: -68.958307
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -174.749995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.749995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.749995 (E_RNA)
where:
Base-Base interactions energy: -111.119
where: short stacking energy: -51.394
Base-Backbone interact. energy: -0.735
local terms energy: -62.896444
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -173.017956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.017956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.017956 (E_RNA)
where:
Base-Base interactions energy: -111.457
where: short stacking energy: -54.582
Base-Backbone interact. energy: -0.238
local terms energy: -61.323269
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -169.655534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.655534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.655534 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.674
local terms energy: -56.609544
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -141.153838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.153838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.153838 (E_RNA)
where:
Base-Base interactions energy: -90.573
where: short stacking energy: -38.388
Base-Backbone interact. energy: -0.189
local terms energy: -50.392001
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -7.629
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: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -132.313924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.313924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.313924 (E_RNA)
where:
Base-Base interactions energy: -79.668
where: short stacking energy: -40.753
Base-Backbone interact. energy: -0.519
local terms energy: -52.127153
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -6.947
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: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -93.369451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369451 (E_RNA)
where:
Base-Base interactions energy: -43.990
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.092
local terms energy: -49.287745
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.406
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -89.258414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.258414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.258414 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -17.778
Base-Backbone interact. energy: -0.581
local terms energy: -52.090594
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.616
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: 223
Temperature: 1.300000
Total energy: -66.751814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.751814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.751814 (E_RNA)
where:
Base-Base interactions energy: -21.030
where: short stacking energy: -16.796
Base-Backbone interact. energy: -0.143
local terms energy: -45.579055
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -70.189620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.189620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.189620 (E_RNA)
where:
Base-Base interactions energy: -23.457
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.022
local terms energy: -46.710637
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -178.231643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.231643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.231643 (E_RNA)
where:
Base-Base interactions energy: -109.834
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.403
local terms energy: -67.994607
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.024
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: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -169.168351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.168351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.168351 (E_RNA)
where:
Base-Base interactions energy: -104.438
where: short stacking energy: -52.339
Base-Backbone interact. energy: -0.206
local terms energy: -64.524441
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -161.085552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.085552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.085552 (E_RNA)
where:
Base-Base interactions energy: -96.302
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.266
local terms energy: -64.517616
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -11.923
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -170.670051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.670051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.670051 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.186
local terms energy: -57.051344
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -122.158604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.158604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.158604 (E_RNA)
where:
Base-Base interactions energy: -70.487
where: short stacking energy: -37.229
Base-Backbone interact. energy: -0.294
local terms energy: -51.377511
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -132.596864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.596864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.596864 (E_RNA)
where:
Base-Base interactions energy: -77.854
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.025
local terms energy: -54.717357
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -79.719780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719780 (E_RNA)
where:
Base-Base interactions energy: -41.247
where: short stacking energy: -18.873
Base-Backbone interact. energy: -0.233
local terms energy: -38.240144
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -3.388
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: 0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -84.549239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.549239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.549239 (E_RNA)
where:
Base-Base interactions energy: -40.498
where: short stacking energy: -18.125
Base-Backbone interact. energy: -0.813
local terms energy: -43.238744
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -6.093
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: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -77.732651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.732651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.732651 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.246
local terms energy: -50.486789
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -68.345270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.345270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.345270 (E_RNA)
where:
Base-Base interactions energy: -21.723
where: short stacking energy: -19.801
Base-Backbone interact. energy: -0.019
local terms energy: -46.603226
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -11.400
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: 225
Temperature: 0.900000
Total energy: -178.032378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.032378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.032378 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -42.261
Base-Backbone interact. energy: -1.030
local terms energy: -57.238662
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -172.694808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.694808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694808 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -58.300
Base-Backbone interact. energy: -0.017
local terms energy: -65.445475
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -172.657015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657015 (E_RNA)
where:
Base-Base interactions energy: -108.803
where: short stacking energy: -53.785
Base-Backbone interact. energy: -0.422
local terms energy: -63.431857
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -8.342
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: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -167.945725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.945725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.945725 (E_RNA)
where:
Base-Base interactions energy: -105.214
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.042
local terms energy: -62.689788
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -135.002519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.002519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.002519 (E_RNA)
where:
Base-Base interactions energy: -77.755
where: short stacking energy: -44.082
Base-Backbone interact. energy: -0.147
local terms energy: -57.100413
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -11.711
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: 225
Temperature: 1.150000
Total energy: -124.350404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.350404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.350404 (E_RNA)
where:
Base-Base interactions energy: -69.749
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.029
local terms energy: -54.572291
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -8.394
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -85.935599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935599 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.071
local terms energy: -46.647413
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -83.114557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114557 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -26.001
Base-Backbone interact. energy: -1.109
local terms energy: -49.271241
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -104.053722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.053722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.053722 (E_RNA)
where:
Base-Base interactions energy: -60.403
where: short stacking energy: -30.933
Base-Backbone interact. energy: 0.980
local terms energy: -44.630479
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -6.621
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: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -69.239575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.239575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.239575 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.020
local terms energy: -42.053982
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -189.428696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.428696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.428696 (E_RNA)
where:
Base-Base interactions energy: -116.146
where: short stacking energy: -55.606
Base-Backbone interact. energy: -3.557
local terms energy: -69.725724
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -189.051404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.051404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.051404 (E_RNA)
where:
Base-Base interactions energy: -128.731
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.233
local terms energy: -60.087780
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -167.227990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.227990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.227990 (E_RNA)
where:
Base-Base interactions energy: -99.782
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.910
local terms energy: -66.536529
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -161.760125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.760125 (E_RNA)
where:
Base-Base interactions energy: -97.794
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.292
local terms energy: -63.674164
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -147.742298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.742298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.742298 (E_RNA)
where:
Base-Base interactions energy: -92.692
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.188
local terms energy: -54.862330
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -10.841
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: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -136.180948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.180948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.180948 (E_RNA)
where:
Base-Base interactions energy: -77.027
where: short stacking energy: -41.308
Base-Backbone interact. energy: -0.695
local terms energy: -58.459550
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -87.789914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789914 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -22.688
Base-Backbone interact. energy: -0.108
local terms energy: -51.574412
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -81.588245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588245 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.071
local terms energy: -52.128465
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -5.993
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -76.662602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.662602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.662602 (E_RNA)
where:
Base-Base interactions energy: -22.695
where: short stacking energy: -22.695
Base-Backbone interact. energy: -0.027
local terms energy: -53.941137
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -76.691158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.691158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.691158 (E_RNA)
where:
Base-Base interactions energy: -26.523
where: short stacking energy: -26.523
Base-Backbone interact. energy: -0.073
local terms energy: -50.094402
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -191.694556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.694556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.694556 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -52.642
Base-Backbone interact. energy: -1.384
local terms energy: -67.934076
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -173.689431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.689431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.689431 (E_RNA)
where:
Base-Base interactions energy: -101.728
where: short stacking energy: -52.768
Base-Backbone interact. energy: -0.591
local terms energy: -71.369820
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -173.455567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.455567 (E_RNA)
where:
Base-Base interactions energy: -110.161
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.862
local terms energy: -62.432949
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -13.450
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -148.006405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.006405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.006405 (E_RNA)
where:
Base-Base interactions energy: -93.022
where: short stacking energy: -40.102
Base-Backbone interact. energy: 0.113
local terms energy: -55.097073
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.949
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -146.878840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.878840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.878840 (E_RNA)
where:
Base-Base interactions energy: -87.836
where: short stacking energy: -49.618
Base-Backbone interact. energy: -0.048
local terms energy: -58.995684
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -13.545
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: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -127.265627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.265627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.265627 (E_RNA)
where:
Base-Base interactions energy: -72.352
where: short stacking energy: -25.222
Base-Backbone interact. energy: 0.310
local terms energy: -55.224053
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -10.250
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: 227
Temperature: 1.200000
Total energy: -90.246627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.246627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.246627 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.468
local terms energy: -50.929693
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -105.731373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.731373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.731373 (E_RNA)
where:
Base-Base interactions energy: -54.304
where: short stacking energy: -17.098
Base-Backbone interact. energy: 0.633
local terms energy: -52.060068
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -85.038434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038434 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -26.151
Base-Backbone interact. energy: 0.643
local terms energy: -50.026932
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -67.095157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.095157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.095157 (E_RNA)
where:
Base-Base interactions energy: -21.669
where: short stacking energy: -18.071
Base-Backbone interact. energy: -0.149
local terms energy: -45.277384
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -191.222875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.222875 (E_RNA)
where:
Base-Base interactions energy: -128.385
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.791
local terms energy: -62.046861
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.935
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -175.339637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.339637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.339637 (E_RNA)
where:
Base-Base interactions energy: -104.573
where: short stacking energy: -53.990
Base-Backbone interact. energy: -0.309
local terms energy: -70.457589
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -19.196
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: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -165.607212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.607212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.607212 (E_RNA)
where:
Base-Base interactions energy: -102.486
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.712
local terms energy: -62.408814
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -11.528
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: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -143.210908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.210908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.210908 (E_RNA)
where:
Base-Base interactions energy: -87.658
where: short stacking energy: -38.989
Base-Backbone interact. energy: -0.064
local terms energy: -55.489578
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -149.759648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.759648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.759648 (E_RNA)
where:
Base-Base interactions energy: -92.844
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.286
local terms energy: -56.629516
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -139.150461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.150461 (E_RNA)
where:
Base-Base interactions energy: -79.346
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.199
local terms energy: -59.605233
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -84.621977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621977 (E_RNA)
where:
Base-Base interactions energy: -27.056
where: short stacking energy: -20.734
Base-Backbone interact. energy: -0.091
local terms energy: -57.474981
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -76.961706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.961706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.961706 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.458
local terms energy: -39.243068
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.858
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: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -86.497253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497253 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.088
local terms energy: -48.121885
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -98.992187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.992187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.992187 (E_RNA)
where:
Base-Base interactions energy: -56.638
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.035
local terms energy: -42.318876
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -7.184
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -1.657
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: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -186.876073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.876073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.876073 (E_RNA)
where:
Base-Base interactions energy: -124.447
where: short stacking energy: -55.317
Base-Backbone interact. energy: -0.101
local terms energy: -62.328406
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -163.290513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290513 (E_RNA)
where:
Base-Base interactions energy: -106.431
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.084
local terms energy: -56.774955
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.834
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: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -178.582978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.582978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582978 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.321
local terms energy: -75.435608
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.981
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: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -138.297811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.297811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.297811 (E_RNA)
where:
Base-Base interactions energy: -80.544
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.157
local terms energy: -57.596752
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -153.143707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.143707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.143707 (E_RNA)
where:
Base-Base interactions energy: -96.784
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.466
local terms energy: -55.893606
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -137.477441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477441 (E_RNA)
where:
Base-Base interactions energy: -85.515
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.565
local terms energy: -51.397195
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -9.573
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: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -86.871814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.871814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.871814 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.127
local terms energy: -50.992587
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.911
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: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -75.558916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558916 (E_RNA)
where:
Base-Base interactions energy: -26.648
where: short stacking energy: -16.229
Base-Backbone interact. energy: -0.301
local terms energy: -48.610262
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -73.106273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.106273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.106273 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -20.620
Base-Backbone interact. energy: 1.418
local terms energy: -43.457446
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -76.485413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.485413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.485413 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -28.291
Base-Backbone interact. energy: -0.078
local terms energy: -30.222463
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -6.779
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -189.556766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.556766 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -55.035
Base-Backbone interact. energy: -0.655
local terms energy: -66.308739
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -173.394028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.394028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.394028 (E_RNA)
where:
Base-Base interactions energy: -112.529
where: short stacking energy: -50.321
Base-Backbone interact. energy: -0.213
local terms energy: -60.651494
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -176.068634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.068634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.068634 (E_RNA)
where:
Base-Base interactions energy: -107.632
where: short stacking energy: -56.583
Base-Backbone interact. energy: -0.778
local terms energy: -67.658972
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.060
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: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -149.930098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.930098 (E_RNA)
where:
Base-Base interactions energy: -88.989
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.050
local terms energy: -60.890425
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.310
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: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -146.585359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.585359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.585359 (E_RNA)
where:
Base-Base interactions energy: -87.773
where: short stacking energy: -42.390
Base-Backbone interact. energy: -0.126
local terms energy: -58.687220
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -135.799181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.799181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.799181 (E_RNA)
where:
Base-Base interactions energy: -78.675
where: short stacking energy: -36.053
Base-Backbone interact. energy: -1.118
local terms energy: -56.006243
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -89.636513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.636513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.636513 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.754
local terms energy: -54.562707
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -68.390964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.390964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.390964 (E_RNA)
where:
Base-Base interactions energy: -24.775
where: short stacking energy: -24.775
Base-Backbone interact. energy: -0.253
local terms energy: -43.363563
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -81.876586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876586 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.090
local terms energy: -52.871213
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.696
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: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -67.098825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.098825 (E_RNA)
where:
Base-Base interactions energy: -24.092
where: short stacking energy: -16.253
Base-Backbone interact. energy: -1.065
local terms energy: -41.941817
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -189.682745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.682745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.682745 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.087
local terms energy: -65.683982
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -12.700
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: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -180.535623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.535623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.535623 (E_RNA)
where:
Base-Base interactions energy: -111.677
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.687
local terms energy: -68.170829
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -167.432604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.432604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.432604 (E_RNA)
where:
Base-Base interactions energy: -104.687
where: short stacking energy: -51.536
Base-Backbone interact. energy: -0.447
local terms energy: -62.299247
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -143.612651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.612651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.612651 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.417
local terms energy: -52.909261
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -124.656038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.656038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.656038 (E_RNA)
where:
Base-Base interactions energy: -72.313
where: short stacking energy: -41.396
Base-Backbone interact. energy: -0.003
local terms energy: -52.340221
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -7.521
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -86.548508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.548508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.548508 (E_RNA)
where:
Base-Base interactions energy: -37.433
where: short stacking energy: -37.433
Base-Backbone interact. energy: -0.102
local terms energy: -49.013497
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -8.847
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: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -86.958149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.958149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.958149 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -20.886
Base-Backbone interact. energy: 0.381
local terms energy: -49.758120
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -77.250726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.250726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.250726 (E_RNA)
where:
Base-Base interactions energy: -23.996
where: short stacking energy: -23.996
Base-Backbone interact. energy: -0.128
local terms energy: -53.126528
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.187
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: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -75.246191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.246191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.246191 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -23.661
Base-Backbone interact. energy: -0.070
local terms energy: -51.515674
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -6.691
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: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -75.463343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.463343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.463343 (E_RNA)
where:
Base-Base interactions energy: -27.346
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.207
local terms energy: -47.910682
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -4.340
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: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -187.422559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.422559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.422559 (E_RNA)
where:
Base-Base interactions energy: -123.842
where: short stacking energy: -51.151
Base-Backbone interact. energy: -0.705
local terms energy: -62.875747
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -11.422
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -182.545724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.545724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.545724 (E_RNA)
where:
Base-Base interactions energy: -130.901
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.200
local terms energy: -51.444213
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -164.176816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.176816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.176816 (E_RNA)
where:
Base-Base interactions energy: -102.293
where: short stacking energy: -40.892
Base-Backbone interact. energy: -0.227
local terms energy: -61.656251
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -11.222
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: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -147.405052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.405052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.405052 (E_RNA)
where:
Base-Base interactions energy: -92.745
where: short stacking energy: -42.214
Base-Backbone interact. energy: 0.525
local terms energy: -55.185031
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -124.476981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.476981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.476981 (E_RNA)
where:
Base-Base interactions energy: -68.408
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.540
local terms energy: -55.529124
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -83.799007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799007 (E_RNA)
where:
Base-Base interactions energy: -37.179
where: short stacking energy: -37.179
Base-Backbone interact. energy: -0.244
local terms energy: -46.376038
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.086
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: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -74.086208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.086208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.086208 (E_RNA)
where:
Base-Base interactions energy: -24.142
where: short stacking energy: -23.745
Base-Backbone interact. energy: -0.164
local terms energy: -49.780404
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -83.558014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.558014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.558014 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -38.405
Base-Backbone interact. energy: 2.930
local terms energy: -46.711378
where:
bonds (distance) C4'-P energy: -5.458
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.696
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: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -71.061177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.061177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.061177 (E_RNA)
where:
Base-Base interactions energy: -22.025
where: short stacking energy: -20.554
Base-Backbone interact. energy: 0.159
local terms energy: -49.195350
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -76.284205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284205 (E_RNA)
where:
Base-Base interactions energy: -30.947
where: short stacking energy: -30.947
Base-Backbone interact. energy: 0.520
local terms energy: -45.858075
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -5.607
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: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -172.178728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.178728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.178728 (E_RNA)
where:
Base-Base interactions energy: -107.477
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.148
local terms energy: -64.553845
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -186.244081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.244081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.244081 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -43.689
Base-Backbone interact. energy: -0.631
local terms energy: -60.928241
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -11.036
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: 233
Temperature: 1.000000
Total energy: -162.473836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.473836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.473836 (E_RNA)
where:
Base-Base interactions energy: -100.818
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.086
local terms energy: -61.570176
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.785
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: 233
Temperature: 1.050000
Total energy: -156.706999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.706999 (E_RNA)
where:
Base-Base interactions energy: -96.928
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.118
local terms energy: -59.661397
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.039
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -135.536098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.536098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.536098 (E_RNA)
where:
Base-Base interactions energy: -80.338
where: short stacking energy: -48.612
Base-Backbone interact. energy: -0.004
local terms energy: -55.194403
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.806
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: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -86.968828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.968828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.968828 (E_RNA)
where:
Base-Base interactions energy: -41.717
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.633
local terms energy: -44.618639
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -78.298116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.298116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.298116 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -17.928
Base-Backbone interact. energy: -0.172
local terms energy: -47.548140
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: 0.827
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: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -79.384525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384525 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -28.131
Base-Backbone interact. energy: -1.058
local terms energy: -48.156184
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -67.963520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.963520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.963520 (E_RNA)
where:
Base-Base interactions energy: -18.269
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.050
local terms energy: -49.645197
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -72.996100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.996100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.996100 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -16.953
Base-Backbone interact. energy: -0.195
local terms energy: -41.917077
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -195.833307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833307 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.145
local terms energy: -62.781398
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.820
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: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -172.030952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.030952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.030952 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.002
local terms energy: -62.002403
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -17.215
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -155.828589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.828589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.828589 (E_RNA)
where:
Base-Base interactions energy: -92.857
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.153
local terms energy: -62.818807
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.669
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -165.310392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.310392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.310392 (E_RNA)
where:
Base-Base interactions energy: -96.537
where: short stacking energy: -47.821
Base-Backbone interact. energy: -0.223
local terms energy: -68.550209
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -113.868348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.868348 (E_RNA)
where:
Base-Base interactions energy: -61.216
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.032
local terms energy: -52.620554
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -6.993
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: 234
Temperature: 1.150000
Total energy: -86.510838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510838 (E_RNA)
where:
Base-Base interactions energy: -27.970
where: short stacking energy: -27.970
Base-Backbone interact. energy: 1.060
local terms energy: -59.600891
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.721
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: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -86.798625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798625 (E_RNA)
where:
Base-Base interactions energy: -32.749
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.170
local terms energy: -53.879964
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -10.468
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -79.206677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.206677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.206677 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -15.299
Base-Backbone interact. energy: -0.137
local terms energy: -42.566611
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -4.345
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -8.425
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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -84.132143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132143 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.023
local terms energy: -53.676479
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -68.406383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.406383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.406383 (E_RNA)
where:
Base-Base interactions energy: -21.711
where: short stacking energy: -17.299
Base-Backbone interact. energy: -0.044
local terms energy: -46.651768
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -1.615
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: 235
Temperature: 0.900000
Total energy: -191.336359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.336359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.336359 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -53.080
Base-Backbone interact. energy: 0.021
local terms energy: -57.629878
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -167.338643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.338643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.338643 (E_RNA)
where:
Base-Base interactions energy: -100.337
where: short stacking energy: -52.877
Base-Backbone interact. energy: -0.592
local terms energy: -66.409498
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -172.298721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.298721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.298721 (E_RNA)
where:
Base-Base interactions energy: -106.497
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.620
local terms energy: -65.182226
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -167.637353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.637353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637353 (E_RNA)
where:
Base-Base interactions energy: -101.286
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.024
local terms energy: -66.327113
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -17.215
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -124.326198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.326198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.326198 (E_RNA)
where:
Base-Base interactions energy: -69.619
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.164
local terms energy: -54.544033
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -76.817293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817293 (E_RNA)
where:
Base-Base interactions energy: -37.038
where: short stacking energy: -21.095
Base-Backbone interact. energy: -0.358
local terms energy: -39.420755
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -8.430
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -83.951843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951843 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.224
local terms energy: -50.894561
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -2.848
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: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -83.925933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.925933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.925933 (E_RNA)
where:
Base-Base interactions energy: -33.613
where: short stacking energy: -33.613
Base-Backbone interact. energy: -0.001
local terms energy: -50.311615
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -1.513
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: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -65.827473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.827473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.827473 (E_RNA)
where:
Base-Base interactions energy: -17.786
where: short stacking energy: -17.786
Base-Backbone interact. energy: -0.571
local terms energy: -47.470283
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -1.357
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -75.353636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.353636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.353636 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.531
local terms energy: -47.825005
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -167.043265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.043265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.043265 (E_RNA)
where:
Base-Base interactions energy: -98.171
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.273
local terms energy: -68.599668
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -193.105455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.105455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.105455 (E_RNA)
where:
Base-Base interactions energy: -129.161
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.815
local terms energy: -63.129566
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -166.582674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.582674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.582674 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -47.232
Base-Backbone interact. energy: -0.869
local terms energy: -59.746369
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -163.900495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.900495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.900495 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -41.235
Base-Backbone interact. energy: 0.072
local terms energy: -59.724590
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -124.434244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.434244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.434244 (E_RNA)
where:
Base-Base interactions energy: -77.468
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.345
local terms energy: -46.621078
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -7.250
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -3.241
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -91.301119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301119 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.068
local terms energy: -48.904838
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -70.168768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.168768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.168768 (E_RNA)
where:
Base-Base interactions energy: -25.016
where: short stacking energy: -23.846
Base-Backbone interact. energy: -0.064
local terms energy: -45.089090
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -2.313
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: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -74.224701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.224701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.224701 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.227
local terms energy: -47.834720
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -78.204767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.204767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.204767 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -13.818
Base-Backbone interact. energy: -0.115
local terms energy: -45.398570
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -76.165787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.165787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.165787 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.039
local terms energy: -50.222583
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -7.626
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: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -172.291527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.291527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.291527 (E_RNA)
where:
Base-Base interactions energy: -110.996
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.045
local terms energy: -61.250100
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -11.441
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: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -169.679000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.679000 (E_RNA)
where:
Base-Base interactions energy: -107.121
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.673
local terms energy: -61.884731
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.152
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: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -171.921178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.921178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.921178 (E_RNA)
where:
Base-Base interactions energy: -106.895
where: short stacking energy: -60.419
Base-Backbone interact. energy: 0.971
local terms energy: -65.996941
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -164.402320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.402320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.402320 (E_RNA)
where:
Base-Base interactions energy: -99.607
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.013
local terms energy: -64.781724
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -118.534380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.534380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.534380 (E_RNA)
where:
Base-Base interactions energy: -75.782
where: short stacking energy: -37.927
Base-Backbone interact. energy: -0.431
local terms energy: -42.320833
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -3.485
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: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -122.660251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.660251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.660251 (E_RNA)
where:
Base-Base interactions energy: -64.554
where: short stacking energy: -29.144
Base-Backbone interact. energy: -1.095
local terms energy: -57.011000
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -72.084274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.084274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.084274 (E_RNA)
where:
Base-Base interactions energy: -24.899
where: short stacking energy: -24.899
Base-Backbone interact. energy: -0.109
local terms energy: -47.076212
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -82.713860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.713860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.713860 (E_RNA)
where:
Base-Base interactions energy: -36.389
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.254
local terms energy: -46.071255
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -78.561623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.561623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.561623 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -23.022
Base-Backbone interact. energy: 1.441
local terms energy: -56.980786
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.737
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: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -87.730049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730049 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -28.673
Base-Backbone interact. energy: -0.105
local terms energy: -50.038232
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.941
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -173.454239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.454239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.454239 (E_RNA)
where:
Base-Base interactions energy: -108.143
where: short stacking energy: -53.142
Base-Backbone interact. energy: -0.412
local terms energy: -64.899095
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -174.108710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.108710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.108710 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -50.327
Base-Backbone interact. energy: -0.973
local terms energy: -60.881738
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -180.067838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.067838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.067838 (E_RNA)
where:
Base-Base interactions energy: -109.082
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.265
local terms energy: -70.720800
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -167.116057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.116057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.116057 (E_RNA)
where:
Base-Base interactions energy: -98.456
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.201
local terms energy: -68.459197
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -119.690608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.690608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.690608 (E_RNA)
where:
Base-Base interactions energy: -65.834
where: short stacking energy: -40.522
Base-Backbone interact. energy: -0.243
local terms energy: -53.614080
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -86.634234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.634234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.634234 (E_RNA)
where:
Base-Base interactions energy: -39.902
where: short stacking energy: -28.737
Base-Backbone interact. energy: -0.352
local terms energy: -46.380224
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -80.554946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554946 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.219
local terms energy: -41.542335
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -77.239985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.239985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.239985 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -30.614
Base-Backbone interact. energy: 0.009
local terms energy: -46.634465
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -75.994413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.994413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.994413 (E_RNA)
where:
Base-Base interactions energy: -33.738
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.088
local terms energy: -42.168609
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -7.996
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -79.798126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.798126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.798126 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.241
local terms energy: -45.562913
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -5.389
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -178.501829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.501829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.501829 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.359
local terms energy: -60.635953
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -177.914311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.914311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.914311 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.326
local terms energy: -63.928321
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -180.198906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.198906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.198906 (E_RNA)
where:
Base-Base interactions energy: -114.551
where: short stacking energy: -55.958
Base-Backbone interact. energy: -1.934
local terms energy: -63.714498
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -169.060885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.060885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.060885 (E_RNA)
where:
Base-Base interactions energy: -105.212
where: short stacking energy: -55.568
Base-Backbone interact. energy: -0.123
local terms energy: -63.725938
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -136.281695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.281695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.281695 (E_RNA)
where:
Base-Base interactions energy: -78.846
where: short stacking energy: -45.117
Base-Backbone interact. energy: -0.104
local terms energy: -57.331788
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -100.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.598123 (E_RNA)
where:
Base-Base interactions energy: -39.584
where: short stacking energy: -37.633
Base-Backbone interact. energy: -0.116
local terms energy: -60.897631
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -78.703501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.703501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.703501 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.047
local terms energy: -46.368313
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -5.416
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -70.717207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.717207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.717207 (E_RNA)
where:
Base-Base interactions energy: -23.083
where: short stacking energy: -22.691
Base-Backbone interact. energy: -0.259
local terms energy: -47.375554
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -110.784556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.784556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.784556 (E_RNA)
where:
Base-Base interactions energy: -62.365
where: short stacking energy: -32.710
Base-Backbone interact. energy: 0.866
local terms energy: -49.285978
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.988313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.988313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.988313 (E_RNA)
where:
Base-Base interactions energy: -31.383
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.065
local terms energy: -44.540224
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -180.940529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.940529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.940529 (E_RNA)
where:
Base-Base interactions energy: -112.171
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.832
local terms energy: -67.937983
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -157.708176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.708176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.708176 (E_RNA)
where:
Base-Base interactions energy: -96.605
where: short stacking energy: -47.693
Base-Backbone interact. energy: -0.397
local terms energy: -60.705626
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -172.243130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.243130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.243130 (E_RNA)
where:
Base-Base interactions energy: -109.121
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.534
local terms energy: -62.588330
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -163.632115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.632115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.632115 (E_RNA)
where:
Base-Base interactions energy: -97.399
where: short stacking energy: -48.358
Base-Backbone interact. energy: -0.231
local terms energy: -66.001426
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.248
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: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -104.523638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.523638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.523638 (E_RNA)
where:
Base-Base interactions energy: -39.907
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.014
local terms energy: -64.602569
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -126.341043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.341043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.341043 (E_RNA)
where:
Base-Base interactions energy: -80.845
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.122
local terms energy: -45.373280
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -6.101
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: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -83.808434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808434 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.013
local terms energy: -55.098461
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -76.494043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.494043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.494043 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -18.924
Base-Backbone interact. energy: -0.883
local terms energy: -45.554908
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -77.053490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053490 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.268
local terms energy: -48.618501
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -3.570
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: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -67.533222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.533222 (E_RNA)
where:
Base-Base interactions energy: -20.150
where: short stacking energy: -7.388
Base-Backbone interact. energy: -1.597
local terms energy: -45.785976
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: 4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -181.275825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.275825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.275825 (E_RNA)
where:
Base-Base interactions energy: -110.144
where: short stacking energy: -57.832
Base-Backbone interact. energy: -0.610
local terms energy: -70.521857
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -20.089
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: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -179.485033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.485033 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.722
local terms energy: -69.931270
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -154.436931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.436931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.436931 (E_RNA)
where:
Base-Base interactions energy: -95.357
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.329
local terms energy: -58.750888
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -152.382348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.382348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.382348 (E_RNA)
where:
Base-Base interactions energy: -91.038
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.229
local terms energy: -61.115118
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -85.521552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521552 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -23.560
Base-Backbone interact. energy: -0.043
local terms energy: -54.889210
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.888
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: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -99.971054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.971054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.971054 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.072
local terms energy: -57.578601
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -92.003861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003861 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -29.047
Base-Backbone interact. energy: -0.146
local terms energy: -47.644628
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -6.625
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: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -78.546790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.546790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.546790 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -21.988
Base-Backbone interact. energy: 0.122
local terms energy: -48.066603
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -75.033947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.033947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.033947 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -34.316
Base-Backbone interact. energy: -0.169
local terms energy: -40.548854
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -5.242
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -67.975434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.975434 (E_RNA)
where:
Base-Base interactions energy: -19.577
where: short stacking energy: -18.706
Base-Backbone interact. energy: -0.103
local terms energy: -48.295906
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -6.250
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: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -170.334906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.334906 (E_RNA)
where:
Base-Base interactions energy: -100.216
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.514
local terms energy: -69.605061
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.680
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: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -176.304416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.304416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.304416 (E_RNA)
where:
Base-Base interactions energy: -108.781
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.450
local terms energy: -67.073372
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -170.881514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.881514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.881514 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.278
local terms energy: -63.665289
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -15.654
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: 242
Temperature: 1.050000
Total energy: -155.287152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.287152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.287152 (E_RNA)
where:
Base-Base interactions energy: -98.751
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.607
local terms energy: -55.929233
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -9.340
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: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -103.240883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.240883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.240883 (E_RNA)
where:
Base-Base interactions energy: -52.142
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.602
local terms energy: -50.496194
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -5.296
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: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -87.779305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.779305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.779305 (E_RNA)
where:
Base-Base interactions energy: -31.378
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.009
local terms energy: -56.392140
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -81.157902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.157902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.157902 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.089
local terms energy: -45.264462
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -72.204237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.204237 (E_RNA)
where:
Base-Base interactions energy: -22.195
where: short stacking energy: -21.315
Base-Backbone interact. energy: -0.032
local terms energy: -49.977268
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -79.551713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.551713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.551713 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -27.412
Base-Backbone interact. energy: -0.009
local terms energy: -42.805423
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -75.472371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.472371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.472371 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -24.770
Base-Backbone interact. energy: -0.067
local terms energy: -50.635110
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -171.685586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.685586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.685586 (E_RNA)
where:
Base-Base interactions energy: -103.820
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.086
local terms energy: -67.779556
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -174.663424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663424 (E_RNA)
where:
Base-Base interactions energy: -104.265
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.574
local terms energy: -69.823791
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.026
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: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -180.308946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.308946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.308946 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -58.726
Base-Backbone interact. energy: -0.074
local terms energy: -65.438099
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -141.956532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.956532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.956532 (E_RNA)
where:
Base-Base interactions energy: -86.382
where: short stacking energy: -45.134
Base-Backbone interact. energy: -0.192
local terms energy: -55.382039
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -109.989120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.989120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.989120 (E_RNA)
where:
Base-Base interactions energy: -60.852
where: short stacking energy: -37.956
Base-Backbone interact. energy: 0.323
local terms energy: -49.459659
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -101.898289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.898289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.898289 (E_RNA)
where:
Base-Base interactions energy: -47.347
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.085
local terms energy: -54.466748
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -83.884381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.884381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.884381 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.044
local terms energy: -49.624915
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -76.383560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.383560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.383560 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -21.897
Base-Backbone interact. energy: -0.059
local terms energy: -44.702060
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -4.030
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: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -74.225906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.225906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.225906 (E_RNA)
where:
Base-Base interactions energy: -21.220
where: short stacking energy: -18.152
Base-Backbone interact. energy: -0.028
local terms energy: -52.977797
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -6.454
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: 243
Temperature: 1.350000
Total energy: -78.059446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.059446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.059446 (E_RNA)
where:
Base-Base interactions energy: -32.748
where: short stacking energy: -30.435
Base-Backbone interact. energy: 0.849
local terms energy: -46.159631
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -0.837
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: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -189.880761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.880761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.880761 (E_RNA)
where:
Base-Base interactions energy: -124.758
where: short stacking energy: -61.290
Base-Backbone interact. energy: -0.629
local terms energy: -64.494016
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -174.450256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450256 (E_RNA)
where:
Base-Base interactions energy: -103.647
where: short stacking energy: -54.114
Base-Backbone interact. energy: -1.143
local terms energy: -69.660605
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -6.986
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: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -168.744844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.744844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.744844 (E_RNA)
where:
Base-Base interactions energy: -106.589
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.713
local terms energy: -61.442111
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -134.940907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.940907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.940907 (E_RNA)
where:
Base-Base interactions energy: -80.214
where: short stacking energy: -38.622
Base-Backbone interact. energy: 0.826
local terms energy: -55.552408
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -106.060874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.060874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.060874 (E_RNA)
where:
Base-Base interactions energy: -63.542
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.080
local terms energy: -42.438692
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -99.685697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.685697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.685697 (E_RNA)
where:
Base-Base interactions energy: -49.057
where: short stacking energy: -31.012
Base-Backbone interact. energy: -0.032
local terms energy: -50.596942
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.668
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: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -80.443141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.443141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.443141 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.012
local terms energy: -43.483459
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -93.944684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.944684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.944684 (E_RNA)
where:
Base-Base interactions energy: -42.548
where: short stacking energy: -29.160
Base-Backbone interact. energy: -0.102
local terms energy: -51.294613
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.823
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: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -69.758903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.758903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.758903 (E_RNA)
where:
Base-Base interactions energy: -26.056
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.543
local terms energy: -43.159417
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -68.971959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.971959 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.052
local terms energy: -39.581561
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -192.282880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.282880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.282880 (E_RNA)
where:
Base-Base interactions energy: -124.632
where: short stacking energy: -56.376
Base-Backbone interact. energy: 0.485
local terms energy: -68.135446
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.781
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: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -175.870858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.870858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.870858 (E_RNA)
where:
Base-Base interactions energy: -112.094
where: short stacking energy: -54.643
Base-Backbone interact. energy: 0.187
local terms energy: -63.963959
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -14.588
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: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -177.700535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.700535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700535 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -57.012
Base-Backbone interact. energy: 0.114
local terms energy: -69.122620
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -145.566939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.566939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.566939 (E_RNA)
where:
Base-Base interactions energy: -78.548
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.069
local terms energy: -66.949757
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -87.923189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923189 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.018
local terms energy: -54.022970
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -95.155896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.155896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.155896 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.827
local terms energy: -52.868254
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -79.078819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.078819 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.254
local terms energy: -38.727071
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -77.113857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.113857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.113857 (E_RNA)
where:
Base-Base interactions energy: -21.827
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.189
local terms energy: -55.098291
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -66.581970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.581970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.581970 (E_RNA)
where:
Base-Base interactions energy: -25.465
where: short stacking energy: -20.919
Base-Backbone interact. energy: -0.182
local terms energy: -40.934476
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -6.902
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: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -69.024519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.024519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.024519 (E_RNA)
where:
Base-Base interactions energy: -26.676
where: short stacking energy: -22.701
Base-Backbone interact. energy: 1.559
local terms energy: -43.907817
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -6.591
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: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -176.216207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.216207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.216207 (E_RNA)
where:
Base-Base interactions energy: -103.479
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.790
local terms energy: -71.948036
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -19.851
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: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -189.839636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.839636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.839636 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.384
local terms energy: -65.953822
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -149.939233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.939233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.939233 (E_RNA)
where:
Base-Base interactions energy: -84.994
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.008
local terms energy: -64.936739
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.605
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: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -175.740785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.740785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.740785 (E_RNA)
where:
Base-Base interactions energy: -110.937
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.005
local terms energy: -64.798558
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -91.508335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508335 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.288
local terms energy: -49.268349
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -5.031
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: 246
Temperature: 1.150000
Total energy: -94.825967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.825967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.825967 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.602
local terms energy: -50.678110
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -95.088908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.088908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.088908 (E_RNA)
where:
Base-Base interactions energy: -45.633
where: short stacking energy: -30.321
Base-Backbone interact. energy: 1.922
local terms energy: -51.377597
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -2.103
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: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -83.400192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.400192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.400192 (E_RNA)
where:
Base-Base interactions energy: -30.706
where: short stacking energy: -29.871
Base-Backbone interact. energy: -0.064
local terms energy: -52.630867
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -80.816257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.816257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.816257 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.023
local terms energy: -50.951074
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -66.228496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.228496 (E_RNA)
where:
Base-Base interactions energy: -31.275
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.176
local terms energy: -34.777666
where:
bonds (distance) C4'-P energy: -3.017
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -174.295683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.295683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.295683 (E_RNA)
where:
Base-Base interactions energy: -109.419
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.593
local terms energy: -64.283926
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -13.897
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: 247
Temperature: 0.950000
Total energy: -176.963735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.963735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.963735 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -40.886
Base-Backbone interact. energy: -1.438
local terms energy: -57.251628
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -144.122240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.122240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.122240 (E_RNA)
where:
Base-Base interactions energy: -83.300
where: short stacking energy: -43.078
Base-Backbone interact. energy: -0.185
local terms energy: -60.637282
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -165.777685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.777685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.777685 (E_RNA)
where:
Base-Base interactions energy: -102.628
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.431
local terms energy: -62.718368
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -95.555508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555508 (E_RNA)
where:
Base-Base interactions energy: -46.491
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.403
local terms energy: -48.661954
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -6.200
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: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -77.310054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310054 (E_RNA)
where:
Base-Base interactions energy: -26.681
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.308
local terms energy: -50.321295
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -92.090754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.090754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.090754 (E_RNA)
where:
Base-Base interactions energy: -46.532
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.068
local terms energy: -45.490265
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -73.356433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.356433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.356433 (E_RNA)
where:
Base-Base interactions energy: -21.484
where: short stacking energy: -14.209
Base-Backbone interact. energy: -0.055
local terms energy: -51.817271
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -82.853054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853054 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.220
local terms energy: -44.369355
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -68.015531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.015531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.015531 (E_RNA)
where:
Base-Base interactions energy: -22.667
where: short stacking energy: -22.667
Base-Backbone interact. energy: -0.123
local terms energy: -45.225304
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -6.844
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -174.332360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.332360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.332360 (E_RNA)
where:
Base-Base interactions energy: -118.826
where: short stacking energy: -46.593
Base-Backbone interact. energy: -1.150
local terms energy: -54.356597
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -7.259
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: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -178.399578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.399578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.399578 (E_RNA)
where:
Base-Base interactions energy: -120.244
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.006
local terms energy: -58.150164
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -7.004
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -169.137958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.137958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.137958 (E_RNA)
where:
Base-Base interactions energy: -105.670
where: short stacking energy: -47.836
Base-Backbone interact. energy: -0.088
local terms energy: -63.379872
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -140.206938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.206938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.206938 (E_RNA)
where:
Base-Base interactions energy: -79.908
where: short stacking energy: -46.466
Base-Backbone interact. energy: -0.258
local terms energy: -60.040292
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -105.754888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.754888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.754888 (E_RNA)
where:
Base-Base interactions energy: -58.515
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.905
local terms energy: -46.334944
where:
bonds (distance) C4'-P energy: -7.553
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -118.837884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.837884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.837884 (E_RNA)
where:
Base-Base interactions energy: -64.774
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.052
local terms energy: -54.010983
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -80.701562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701562 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.102
local terms energy: -52.995487
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -11.542
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: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -78.353913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.353913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.353913 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -28.077
Base-Backbone interact. energy: -0.913
local terms energy: -44.306115
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -77.615211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615211 (E_RNA)
where:
Base-Base interactions energy: -30.795
where: short stacking energy: -30.795
Base-Backbone interact. energy: -0.013
local terms energy: -46.806875
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -7.225
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: 248
Temperature: 1.350000
Total energy: -64.873411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.873411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.873411 (E_RNA)
where:
Base-Base interactions energy: -22.678
where: short stacking energy: -15.380
Base-Backbone interact. energy: -0.161
local terms energy: -42.034427
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -7.201
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -8.602
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: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -180.564000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.564000 (E_RNA)
where:
Base-Base interactions energy: -112.279
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.170
local terms energy: -68.115371
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.143
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -182.944535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.944535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.944535 (E_RNA)
where:
Base-Base interactions energy: -118.071
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.001
local terms energy: -64.872118
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -16.177
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -179.354900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.354900 (E_RNA)
where:
Base-Base interactions energy: -111.291
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.032
local terms energy: -68.031390
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -7.593
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: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -136.741929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.741929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.741929 (E_RNA)
where:
Base-Base interactions energy: -73.685
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.016
local terms energy: -63.041547
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -91.457305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457305 (E_RNA)
where:
Base-Base interactions energy: -46.572
where: short stacking energy: -22.198
Base-Backbone interact. energy: -0.092
local terms energy: -44.792839
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -97.193526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193526 (E_RNA)
where:
Base-Base interactions energy: -39.290
where: short stacking energy: -36.748
Base-Backbone interact. energy: 2.947
local terms energy: -60.851114
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.603
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: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -85.323280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323280 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -32.478
Base-Backbone interact. energy: -0.008
local terms energy: -52.114535
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -79.302152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.302152 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -28.648
Base-Backbone interact. energy: -0.034
local terms energy: -44.728137
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -82.250349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.250349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.250349 (E_RNA)
where:
Base-Base interactions energy: -33.711
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.032
local terms energy: -48.507384
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -75.054849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.054849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.054849 (E_RNA)
where:
Base-Base interactions energy: -36.325
where: short stacking energy: -22.999
Base-Backbone interact. energy: -0.298
local terms energy: -38.431096
where:
bonds (distance) C4'-P energy: -4.045
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -191.299250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.299250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.299250 (E_RNA)
where:
Base-Base interactions energy: -117.795
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.002
local terms energy: -73.501857
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -13.092
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: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -170.393025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.393025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.393025 (E_RNA)
where:
Base-Base interactions energy: -109.146
where: short stacking energy: -53.613
Base-Backbone interact. energy: -0.339
local terms energy: -60.908176
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -157.622501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.622501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.622501 (E_RNA)
where:
Base-Base interactions energy: -92.489
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.319
local terms energy: -64.813835
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -139.492100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.492100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.492100 (E_RNA)
where:
Base-Base interactions energy: -78.932
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.037
local terms energy: -60.523832
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -100.049051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.049051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.049051 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -33.163
Base-Backbone interact. energy: -0.414
local terms energy: -50.146820
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -3.701
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -98.829415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.829415 (E_RNA)
where:
Base-Base interactions energy: -47.780
where: short stacking energy: -47.780
Base-Backbone interact. energy: -0.001
local terms energy: -51.048662
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -12.070
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: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -91.081061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.081061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.081061 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -37.666
Base-Backbone interact. energy: -0.007
local terms energy: -53.408452
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -84.194892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194892 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.144
local terms energy: -50.539770
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -6.040
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -76.857914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.857914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.857914 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -27.828
Base-Backbone interact. energy: -0.852
local terms energy: -47.808528
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -71.956487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.956487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.956487 (E_RNA)
where:
Base-Base interactions energy: -29.051
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.026
local terms energy: -42.879265
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -181.881625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.881625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.881625 (E_RNA)
where:
Base-Base interactions energy: -110.998
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.037
local terms energy: -70.847342
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -180.994060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.994060 (E_RNA)
where:
Base-Base interactions energy: -117.359
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.478
local terms energy: -63.157749
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -15.140
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -165.594064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.594064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.594064 (E_RNA)
where:
Base-Base interactions energy: -107.410
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.390
local terms energy: -57.794047
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -8.382
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -142.690020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.690020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.690020 (E_RNA)
where:
Base-Base interactions energy: -87.549
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.220
local terms energy: -54.921072
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -95.802950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802950 (E_RNA)
where:
Base-Base interactions energy: -45.418
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.101
local terms energy: -50.283796
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -114.883183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.883183 (E_RNA)
where:
Base-Base interactions energy: -59.872
where: short stacking energy: -35.054
Base-Backbone interact. energy: -0.466
local terms energy: -54.545340
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -79.111515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111515 (E_RNA)
where:
Base-Base interactions energy: -31.001
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.134
local terms energy: -47.976132
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -75.312550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.312550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.312550 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -31.075
Base-Backbone interact. energy: -0.059
local terms energy: -43.606859
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -77.319325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319325 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.225
local terms energy: -39.409069
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -8.083
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -72.231890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.231890 (E_RNA)
where:
Base-Base interactions energy: -25.720
where: short stacking energy: -24.983
Base-Backbone interact. energy: -0.076
local terms energy: -46.436497
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -9.758
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: 252
Temperature: 0.900000
Total energy: -186.743686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.743686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.743686 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.357
local terms energy: -66.154414
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -169.975364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.975364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.975364 (E_RNA)
where:
Base-Base interactions energy: -107.014
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.105
local terms energy: -62.855578
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -10.467
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -164.966829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.966829 (E_RNA)
where:
Base-Base interactions energy: -104.641
where: short stacking energy: -46.808
Base-Backbone interact. energy: 0.471
local terms energy: -60.796435
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -10.735
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -157.563504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.563504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.563504 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -42.625
Base-Backbone interact. energy: -0.011
local terms energy: -63.715150
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -12.306
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -98.272874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.272874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.272874 (E_RNA)
where:
Base-Base interactions energy: -46.062
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.269
local terms energy: -51.941625
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -4.823
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: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -91.555168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.555168 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.137
local terms energy: -50.453615
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -75.342353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.342353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.342353 (E_RNA)
where:
Base-Base interactions energy: -22.694
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.261
local terms energy: -52.387500
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -84.101916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.101916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.101916 (E_RNA)
where:
Base-Base interactions energy: -34.980
where: short stacking energy: -21.181
Base-Backbone interact. energy: -0.102
local terms energy: -49.020035
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -4.276
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: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -93.433352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.433352 (E_RNA)
where:
Base-Base interactions energy: -45.680
where: short stacking energy: -25.407
Base-Backbone interact. energy: -0.002
local terms energy: -47.751473
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -68.931424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.931424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.931424 (E_RNA)
where:
Base-Base interactions energy: -17.453
where: short stacking energy: -17.453
Base-Backbone interact. energy: -0.100
local terms energy: -51.378064
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -2.476
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: 253
Temperature: 0.900000
Total energy: -178.098641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.098641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.098641 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -62.372
Base-Backbone interact. energy: -0.255
local terms energy: -67.643852
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -168.396037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.396037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.396037 (E_RNA)
where:
Base-Base interactions energy: -100.396
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.344
local terms energy: -67.655988
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -171.059428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.059428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.059428 (E_RNA)
where:
Base-Base interactions energy: -107.881
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.087
local terms energy: -63.091001
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -16.075
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -147.847263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.847263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.847263 (E_RNA)
where:
Base-Base interactions energy: -85.728
where: short stacking energy: -47.053
Base-Backbone interact. energy: 0.215
local terms energy: -62.334393
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -91.112794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112794 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -32.760
Base-Backbone interact. energy: -0.106
local terms energy: -55.281041
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -87.106337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.106337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.106337 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -27.936
Base-Backbone interact. energy: -0.017
local terms energy: -59.154139
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -89.962672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962672 (E_RNA)
where:
Base-Base interactions energy: -35.673
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.005
local terms energy: -54.284412
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -86.077385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077385 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -31.580
Base-Backbone interact. energy: -0.004
local terms energy: -50.753092
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -9.032
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: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -70.530382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.530382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.530382 (E_RNA)
where:
Base-Base interactions energy: -22.484
where: short stacking energy: -19.979
Base-Backbone interact. energy: -0.133
local terms energy: -47.912747
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -64.742120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.742120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.742120 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.199
local terms energy: -36.670052
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -7.509
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: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -194.111584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.111584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.111584 (E_RNA)
where:
Base-Base interactions energy: -128.383
where: short stacking energy: -50.685
Base-Backbone interact. energy: -1.770
local terms energy: -63.959038
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -171.168596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.168596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.168596 (E_RNA)
where:
Base-Base interactions energy: -107.028
where: short stacking energy: -58.438
Base-Backbone interact. energy: -0.000
local terms energy: -64.140331
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -160.944218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.944218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.944218 (E_RNA)
where:
Base-Base interactions energy: -100.763
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.133
local terms energy: -60.047590
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -149.434072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.434072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.434072 (E_RNA)
where:
Base-Base interactions energy: -87.774
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.311
local terms energy: -61.349303
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -97.620413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.620413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.620413 (E_RNA)
where:
Base-Base interactions energy: -42.431
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.089
local terms energy: -55.100109
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -5.705
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -91.459462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459462 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.104
local terms energy: -54.745360
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -80.873506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873506 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.081
local terms energy: -45.190066
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -73.427487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.427487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.427487 (E_RNA)
where:
Base-Base interactions energy: -24.215
where: short stacking energy: -20.433
Base-Backbone interact. energy: -0.044
local terms energy: -49.168531
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -73.718934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.718934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.718934 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -20.889
Base-Backbone interact. energy: -0.981
local terms energy: -44.049940
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: 0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -64.980658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.980658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.980658 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -21.528
Base-Backbone interact. energy: 0.366
local terms energy: -35.767635
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -193.575363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.575363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.575363 (E_RNA)
where:
Base-Base interactions energy: -129.331
where: short stacking energy: -50.860
Base-Backbone interact. energy: -1.457
local terms energy: -62.787202
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -171.347178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.347178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.347178 (E_RNA)
where:
Base-Base interactions energy: -105.390
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.121
local terms energy: -65.835986
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.446
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -168.270106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270106 (E_RNA)
where:
Base-Base interactions energy: -101.883
where: short stacking energy: -56.547
Base-Backbone interact. energy: 0.060
local terms energy: -66.446898
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -154.185179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.185179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.185179 (E_RNA)
where:
Base-Base interactions energy: -97.201
where: short stacking energy: -48.794
Base-Backbone interact. energy: -0.587
local terms energy: -56.397519
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -85.238098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.238098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.238098 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -28.839
Base-Backbone interact. energy: -0.083
local terms energy: -47.176673
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -89.016769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.016769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.016769 (E_RNA)
where:
Base-Base interactions energy: -34.431
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.090
local terms energy: -54.495398
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -86.162080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.162080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.162080 (E_RNA)
where:
Base-Base interactions energy: -32.638
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.045
local terms energy: -53.479029
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -85.408292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408292 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.597
local terms energy: -45.001745
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -7.212
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: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -68.041934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.041934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.041934 (E_RNA)
where:
Base-Base interactions energy: -27.558
where: short stacking energy: -16.006
Base-Backbone interact. energy: 0.631
local terms energy: -41.114590
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -3.869
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: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -74.063601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.063601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.063601 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -28.305
Base-Backbone interact. energy: -0.150
local terms energy: -43.691190
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -8.670
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: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -182.852339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.852339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.852339 (E_RNA)
where:
Base-Base interactions energy: -115.464
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.890
local terms energy: -66.498719
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -177.055649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.055649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.055649 (E_RNA)
where:
Base-Base interactions energy: -115.106
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.310
local terms energy: -61.639728
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -11.744
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: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -167.728322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.728322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.728322 (E_RNA)
where:
Base-Base interactions energy: -104.829
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.008
local terms energy: -62.892261
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -130.903356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.903356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.903356 (E_RNA)
where:
Base-Base interactions energy: -76.267
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.171
local terms energy: -54.465681
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -10.421
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: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -97.439681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.439681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.439681 (E_RNA)
where:
Base-Base interactions energy: -53.163
where: short stacking energy: -38.511
Base-Backbone interact. energy: -0.002
local terms energy: -44.274226
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -85.258163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.258163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.258163 (E_RNA)
where:
Base-Base interactions energy: -37.476
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.195
local terms energy: -47.587583
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -6.483
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -79.870400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870400 (E_RNA)
where:
Base-Base interactions energy: -28.890
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.074
local terms energy: -50.906994
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.232
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: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -112.221398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.221398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.221398 (E_RNA)
where:
Base-Base interactions energy: -65.427
where: short stacking energy: -38.775
Base-Backbone interact. energy: -2.532
local terms energy: -44.261483
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -71.546264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.546264 (E_RNA)
where:
Base-Base interactions energy: -24.311
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.099
local terms energy: -47.136451
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -70.640067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.640067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.640067 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.254
local terms energy: -44.374603
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -0.889
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: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -190.602807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.602807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.602807 (E_RNA)
where:
Base-Base interactions energy: -119.902
where: short stacking energy: -44.959
Base-Backbone interact. energy: -0.245
local terms energy: -70.456392
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -169.066943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.066943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.066943 (E_RNA)
where:
Base-Base interactions energy: -103.127
where: short stacking energy: -49.665
Base-Backbone interact. energy: -0.524
local terms energy: -65.416823
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.334
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: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -178.533745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.533745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.533745 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -46.506
Base-Backbone interact. energy: -1.247
local terms energy: -61.913685
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.387
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: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -139.929964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.929964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.929964 (E_RNA)
where:
Base-Base interactions energy: -81.664
where: short stacking energy: -46.324
Base-Backbone interact. energy: 0.883
local terms energy: -59.148715
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.726
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -109.017410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.017410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.017410 (E_RNA)
where:
Base-Base interactions energy: -51.506
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.016
local terms energy: -57.494883
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -93.183246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183246 (E_RNA)
where:
Base-Base interactions energy: -44.768
where: short stacking energy: -19.383
Base-Backbone interact. energy: -0.951
local terms energy: -47.463798
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -81.058019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.058019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.058019 (E_RNA)
where:
Base-Base interactions energy: -37.960
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.190
local terms energy: -42.907884
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -79.811860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.811860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.811860 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.051
local terms energy: -45.866962
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -5.298
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -73.650690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.650690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.650690 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -22.288
Base-Backbone interact. energy: -0.194
local terms energy: -42.689067
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: 0.114
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -72.493713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.493713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.493713 (E_RNA)
where:
Base-Base interactions energy: -36.515
where: short stacking energy: -15.472
Base-Backbone interact. energy: -0.039
local terms energy: -35.939227
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -174.899897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.899897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.899897 (E_RNA)
where:
Base-Base interactions energy: -103.983
where: short stacking energy: -51.710
Base-Backbone interact. energy: -1.028
local terms energy: -69.889114
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -177.197842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.197842 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -45.605
Base-Backbone interact. energy: -0.309
local terms energy: -62.833191
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -170.717957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.717957 (E_RNA)
where:
Base-Base interactions energy: -106.481
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.749
local terms energy: -63.487669
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -147.951211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.951211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.951211 (E_RNA)
where:
Base-Base interactions energy: -88.284
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.010
local terms energy: -59.657120
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -113.592290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.592290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.592290 (E_RNA)
where:
Base-Base interactions energy: -61.655
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.951
local terms energy: -50.986337
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -80.286846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.286846 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.003
local terms energy: -50.403476
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -8.333
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: 258
Temperature: 1.200000
Total energy: -91.489381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.489381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.489381 (E_RNA)
where:
Base-Base interactions energy: -58.440
where: short stacking energy: -42.038
Base-Backbone interact. energy: 1.257
local terms energy: -34.306891
where:
bonds (distance) C4'-P energy: -5.889
bonds (distance) P-C4' energy: -5.738
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -74.363117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.363117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.363117 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -23.386
Base-Backbone interact. energy: 0.665
local terms energy: -46.615529
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -76.420200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.420200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.420200 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.103
local terms energy: -44.770444
where:
bonds (distance) C4'-P energy: -4.886
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -73.689694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.689694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.689694 (E_RNA)
where:
Base-Base interactions energy: -36.375
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.415
local terms energy: -36.899291
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -179.648080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.648080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.648080 (E_RNA)
where:
Base-Base interactions energy: -112.135
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.010
local terms energy: -67.502627
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.699
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -175.783018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.783018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.783018 (E_RNA)
where:
Base-Base interactions energy: -107.361
where: short stacking energy: -49.333
Base-Backbone interact. energy: -0.135
local terms energy: -68.287079
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -165.397469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.397469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.397469 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -40.071
Base-Backbone interact. energy: -0.527
local terms energy: -59.422211
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -136.529491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.529491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.529491 (E_RNA)
where:
Base-Base interactions energy: -81.815
where: short stacking energy: -49.207
Base-Backbone interact. energy: -0.137
local terms energy: -54.577531
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -10.172
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: 259
Temperature: 1.100000
Total energy: -83.733835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.733835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.733835 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.046
local terms energy: -50.850664
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -12.296
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: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -141.084411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.084411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.084411 (E_RNA)
where:
Base-Base interactions energy: -88.539
where: short stacking energy: -39.677
Base-Backbone interact. energy: 0.989
local terms energy: -53.533870
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -8.996
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: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -82.679769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679769 (E_RNA)
where:
Base-Base interactions energy: -34.286
where: short stacking energy: -34.286
Base-Backbone interact. energy: -0.100
local terms energy: -48.293859
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -81.217867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.217867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.217867 (E_RNA)
where:
Base-Base interactions energy: -41.450
where: short stacking energy: -38.165
Base-Backbone interact. energy: -0.108
local terms energy: -39.659620
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -80.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808332 (E_RNA)
where:
Base-Base interactions energy: -31.016
where: short stacking energy: -22.884
Base-Backbone interact. energy: 1.176
local terms energy: -50.967988
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: 1.070
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: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -66.527735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.527735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.527735 (E_RNA)
where:
Base-Base interactions energy: -22.694
where: short stacking energy: -19.942
Base-Backbone interact. energy: -0.007
local terms energy: -43.827121
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -173.492543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.492543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.492543 (E_RNA)
where:
Base-Base interactions energy: -110.840
where: short stacking energy: -48.371
Base-Backbone interact. energy: -0.385
local terms energy: -62.266802
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -180.057528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.057528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.057528 (E_RNA)
where:
Base-Base interactions energy: -113.454
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.372
local terms energy: -66.231091
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -173.998370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.998370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.998370 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.412
local terms energy: -66.444673
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -132.227553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.227553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227553 (E_RNA)
where:
Base-Base interactions energy: -79.300
where: short stacking energy: -44.588
Base-Backbone interact. energy: -0.123
local terms energy: -52.804385
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -151.712322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.712322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.712322 (E_RNA)
where:
Base-Base interactions energy: -96.875
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.011
local terms energy: -54.826536
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -91.468237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.468237 (E_RNA)
where:
Base-Base interactions energy: -44.456
where: short stacking energy: -25.837
Base-Backbone interact. energy: -0.446
local terms energy: -46.566279
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -9.223
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: 1.501
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: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -85.040812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.040812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.040812 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.005
local terms energy: -52.909818
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -85.872270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.872270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.872270 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -30.593
Base-Backbone interact. energy: -0.025
local terms energy: -55.254186
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -9.733
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: 260
Temperature: 1.300000
Total energy: -90.705421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.705421 (E_RNA)
where:
Base-Base interactions energy: -39.008
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.249
local terms energy: -51.448506
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -8.088
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: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -79.746308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.746308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.746308 (E_RNA)
where:
Base-Base interactions energy: -30.397
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.386
local terms energy: -48.962411
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -181.780816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.780816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.780816 (E_RNA)
where:
Base-Base interactions energy: -115.970
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.003
local terms energy: -65.807425
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -15.959
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: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -172.733452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.733452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.733452 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -56.705
Base-Backbone interact. energy: -0.584
local terms energy: -59.057670
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -157.511295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.511295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.511295 (E_RNA)
where:
Base-Base interactions energy: -105.095
where: short stacking energy: -41.211
Base-Backbone interact. energy: 0.033
local terms energy: -52.449011
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -163.870800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.870800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.870800 (E_RNA)
where:
Base-Base interactions energy: -103.438
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.374
local terms energy: -60.058873
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -145.706464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.706464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.706464 (E_RNA)
where:
Base-Base interactions energy: -84.941
where: short stacking energy: -43.016
Base-Backbone interact. energy: -1.366
local terms energy: -59.399900
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -99.765772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765772 (E_RNA)
where:
Base-Base interactions energy: -51.619
where: short stacking energy: -37.790
Base-Backbone interact. energy: -0.088
local terms energy: -48.058785
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -2.915
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: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -85.041428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041428 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -34.870
Base-Backbone interact. energy: 0.100
local terms energy: -50.271408
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -82.523049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523049 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.436
local terms energy: -44.061917
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -75.981120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.981120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.981120 (E_RNA)
where:
Base-Base interactions energy: -28.021
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.022
local terms energy: -47.938401
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -61.248980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.248980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.248980 (E_RNA)
where:
Base-Base interactions energy: -21.672
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.268
local terms energy: -39.309800
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -183.467164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.467164 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.765
local terms energy: -61.610691
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -175.472881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.472881 (E_RNA)
where:
Base-Base interactions energy: -109.073
where: short stacking energy: -49.399
Base-Backbone interact. energy: -1.278
local terms energy: -65.121569
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -164.634299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.634299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.634299 (E_RNA)
where:
Base-Base interactions energy: -103.565
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.599
local terms energy: -60.470062
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -170.677157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.677157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.677157 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -50.946
Base-Backbone interact. energy: -0.077
local terms energy: -60.033820
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.036
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: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -146.457862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.457862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.457862 (E_RNA)
where:
Base-Base interactions energy: -94.106
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.395
local terms energy: -51.956372
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -7.378
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: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -88.928743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.928743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.928743 (E_RNA)
where:
Base-Base interactions energy: -37.189
where: short stacking energy: -27.210
Base-Backbone interact. energy: -0.003
local terms energy: -51.736782
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -2.996
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: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -82.783834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783834 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.087
local terms energy: -47.512041
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -3.426
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: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -87.910700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910700 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.223
local terms energy: -47.788008
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -77.585807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.585807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.585807 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.039
local terms energy: -40.534973
where:
bonds (distance) C4'-P energy: -6.782
bonds (distance) P-C4' energy: -9.103
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -74.884517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.884517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.884517 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -15.603
Base-Backbone interact. energy: -0.426
local terms energy: -46.297056
where:
bonds (distance) C4'-P energy: -7.447
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -184.496737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496737 (E_RNA)
where:
Base-Base interactions energy: -118.444
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.912
local terms energy: -65.140563
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -176.131823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.131823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.131823 (E_RNA)
where:
Base-Base interactions energy: -106.050
where: short stacking energy: -46.679
Base-Backbone interact. energy: -0.460
local terms energy: -69.621425
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -174.737908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.737908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.737908 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.602
local terms energy: -58.654234
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -132.424916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.424916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.424916 (E_RNA)
where:
Base-Base interactions energy: -73.017
where: short stacking energy: -44.725
Base-Backbone interact. energy: -0.272
local terms energy: -59.135512
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -160.357456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.357456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.357456 (E_RNA)
where:
Base-Base interactions energy: -112.270
where: short stacking energy: -43.836
Base-Backbone interact. energy: -0.170
local terms energy: -47.918360
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -0.651
tors. eta vs tors. theta energy: -8.905
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: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -83.165363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165363 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -30.428
Base-Backbone interact. energy: 0.582
local terms energy: -48.079885
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -91.474180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.474180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.474180 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.061
local terms energy: -48.479484
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -77.635222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.635222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.635222 (E_RNA)
where:
Base-Base interactions energy: -26.957
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.017
local terms energy: -50.660878
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -73.921619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.921619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.921619 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.130
local terms energy: -42.705719
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -67.602651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.602651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.602651 (E_RNA)
where:
Base-Base interactions energy: -19.628
where: short stacking energy: -15.625
Base-Backbone interact. energy: 0.639
local terms energy: -48.613111
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 0.233
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: 264
Temperature: 0.900000
Total energy: -181.934011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.934011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.934011 (E_RNA)
where:
Base-Base interactions energy: -114.897
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.006
local terms energy: -67.030700
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -170.428633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.428633 (E_RNA)
where:
Base-Base interactions energy: -111.156
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.128
local terms energy: -59.144595
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -140.914920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.914920 (E_RNA)
where:
Base-Base interactions energy: -87.787
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.430
local terms energy: -52.697370
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -173.725117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.725117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.725117 (E_RNA)
where:
Base-Base interactions energy: -108.353
where: short stacking energy: -51.598
Base-Backbone interact. energy: 0.421
local terms energy: -65.793741
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -157.621592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.621592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621592 (E_RNA)
where:
Base-Base interactions energy: -98.541
where: short stacking energy: -48.504
Base-Backbone interact. energy: -1.098
local terms energy: -57.981858
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -7.550
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -91.981839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.981839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.981839 (E_RNA)
where:
Base-Base interactions energy: -52.738
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.024
local terms energy: -39.220445
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -0.752
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -84.632355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.632355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.632355 (E_RNA)
where:
Base-Base interactions energy: -36.264
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.036
local terms energy: -48.332193
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -76.017543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.017543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.017543 (E_RNA)
where:
Base-Base interactions energy: -26.851
where: short stacking energy: -22.483
Base-Backbone interact. energy: -0.166
local terms energy: -49.000793
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -65.635285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.635285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.635285 (E_RNA)
where:
Base-Base interactions energy: -19.579
where: short stacking energy: -19.512
Base-Backbone interact. energy: -0.207
local terms energy: -45.849038
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -68.345310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.345310 (E_RNA)
where:
Base-Base interactions energy: -26.882
where: short stacking energy: -21.227
Base-Backbone interact. energy: -0.301
local terms energy: -41.162592
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -1.382
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -181.087001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.087001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.087001 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -55.133
Base-Backbone interact. energy: -0.368
local terms energy: -64.914128
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -188.273211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.273211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.273211 (E_RNA)
where:
Base-Base interactions energy: -125.808
where: short stacking energy: -43.519
Base-Backbone interact. energy: -0.362
local terms energy: -62.102954
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -141.980987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.980987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.980987 (E_RNA)
where:
Base-Base interactions energy: -94.302
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.458
local terms energy: -47.220591
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -165.660078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.660078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.660078 (E_RNA)
where:
Base-Base interactions energy: -103.182
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.014
local terms energy: -62.464194
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -171.310504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.310504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.310504 (E_RNA)
where:
Base-Base interactions energy: -113.228
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.448
local terms energy: -57.634112
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -90.064660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064660 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.114
local terms energy: -55.173066
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -83.887561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.887561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.887561 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -34.963
Base-Backbone interact. energy: -0.201
local terms energy: -47.035261
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -5.314
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: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -78.552874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552874 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -32.680
Base-Backbone interact. energy: 0.503
local terms energy: -46.375644
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -4.238
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: 265
Temperature: 1.300000
Total energy: -69.675073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.675073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.675073 (E_RNA)
where:
Base-Base interactions energy: -25.170
where: short stacking energy: -11.425
Base-Backbone interact. energy: -0.151
local terms energy: -44.354826
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -6.015
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -70.046982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046982 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.011
local terms energy: -45.918243
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -183.669432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.669432 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -42.295
Base-Backbone interact. energy: -0.308
local terms energy: -58.868651
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -183.280800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280800 (E_RNA)
where:
Base-Base interactions energy: -117.605
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.600
local terms energy: -65.075855
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -171.738149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.738149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.738149 (E_RNA)
where:
Base-Base interactions energy: -110.556
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.002
local terms energy: -61.180409
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -139.920739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.920739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.920739 (E_RNA)
where:
Base-Base interactions energy: -80.200
where: short stacking energy: -47.746
Base-Backbone interact. energy: 0.095
local terms energy: -59.815284
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -157.267940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.267940 (E_RNA)
where:
Base-Base interactions energy: -103.920
where: short stacking energy: -39.830
Base-Backbone interact. energy: -0.163
local terms energy: -53.184653
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -82.350919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.350919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.350919 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -34.837
Base-Backbone interact. energy: 1.145
local terms energy: -47.431840
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -85.125417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125417 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -28.359
Base-Backbone interact. energy: -0.023
local terms energy: -51.315278
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -71.418237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.418237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.418237 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -28.723
Base-Backbone interact. energy: 0.077
local terms energy: -41.507364
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -5.352
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -75.931988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.931988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.931988 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -25.626
Base-Backbone interact. energy: -0.137
local terms energy: -49.261700
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -6.292
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: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -82.661843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.661843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.661843 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -30.182
Base-Backbone interact. energy: 0.401
local terms energy: -52.881361
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -188.051794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.051794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.051794 (E_RNA)
where:
Base-Base interactions energy: -119.974
where: short stacking energy: -52.116
Base-Backbone interact. energy: -0.071
local terms energy: -68.006733
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -180.259198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.259198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.259198 (E_RNA)
where:
Base-Base interactions energy: -105.325
where: short stacking energy: -53.402
Base-Backbone interact. energy: -0.722
local terms energy: -74.211780
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -182.773002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.773002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.773002 (E_RNA)
where:
Base-Base interactions energy: -115.749
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.577
local terms energy: -66.446733
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -167.977080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977080 (E_RNA)
where:
Base-Base interactions energy: -99.877
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.534
local terms energy: -67.565501
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.130
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: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -136.301363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.301363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.301363 (E_RNA)
where:
Base-Base interactions energy: -73.482
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.137
local terms energy: -62.682762
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.388
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: 267
Temperature: 1.150000
Total energy: -91.970513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.970513 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -38.545
Base-Backbone interact. energy: 3.981
local terms energy: -54.927099
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -85.024662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.024662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.024662 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.011
local terms energy: -54.110337
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -72.159182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.159182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.159182 (E_RNA)
where:
Base-Base interactions energy: -22.863
where: short stacking energy: -22.196
Base-Backbone interact. energy: 0.423
local terms energy: -49.718931
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -70.717602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.717602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.717602 (E_RNA)
where:
Base-Base interactions energy: -26.521
where: short stacking energy: -23.586
Base-Backbone interact. energy: -0.194
local terms energy: -44.002320
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -73.134253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.134253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.134253 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.115
local terms energy: -41.579873
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -1.495
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: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -184.385285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.385285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.385285 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.180
local terms energy: -67.649202
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.031
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: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -185.268645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.268645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.268645 (E_RNA)
where:
Base-Base interactions energy: -109.866
where: short stacking energy: -62.915
Base-Backbone interact. energy: 1.007
local terms energy: -76.409660
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -169.047304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.047304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047304 (E_RNA)
where:
Base-Base interactions energy: -106.871
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.542
local terms energy: -61.634273
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -162.936819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.936819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.936819 (E_RNA)
where:
Base-Base interactions energy: -106.999
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.722
local terms energy: -55.215473
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -9.387
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -130.392028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.392028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.392028 (E_RNA)
where:
Base-Base interactions energy: -77.359
where: short stacking energy: -42.411
Base-Backbone interact. energy: 0.096
local terms energy: -53.129868
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -5.487
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: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -83.119919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119919 (E_RNA)
where:
Base-Base interactions energy: -22.927
where: short stacking energy: -20.110
Base-Backbone interact. energy: -1.179
local terms energy: -59.014131
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -91.590722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.590722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.590722 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -28.127
Base-Backbone interact. energy: 0.536
local terms energy: -54.094773
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -87.672518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.672518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.672518 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.010
local terms energy: -54.850884
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -6.666
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -83.892159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.892159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.892159 (E_RNA)
where:
Base-Base interactions energy: -52.631
where: short stacking energy: -24.192
Base-Backbone interact. energy: 4.681
local terms energy: -35.941938
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -6.111
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -72.396405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.396405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.396405 (E_RNA)
where:
Base-Base interactions energy: -25.053
where: short stacking energy: -24.309
Base-Backbone interact. energy: -0.431
local terms energy: -46.912915
where:
bonds (distance) C4'-P energy: -5.802
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -180.322777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.322777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.322777 (E_RNA)
where:
Base-Base interactions energy: -115.264
where: short stacking energy: -50.204
Base-Backbone interact. energy: -0.232
local terms energy: -64.826710
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -166.940809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.940809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.940809 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -42.149
Base-Backbone interact. energy: -0.572
local terms energy: -61.475099
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -171.015921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.015921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.015921 (E_RNA)
where:
Base-Base interactions energy: -99.394
where: short stacking energy: -57.146
Base-Backbone interact. energy: -1.376
local terms energy: -70.246223
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.603
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: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -152.470136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.470136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.470136 (E_RNA)
where:
Base-Base interactions energy: -91.766
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.328
local terms energy: -60.376473
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -157.464230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.464230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.464230 (E_RNA)
where:
Base-Base interactions energy: -97.217
where: short stacking energy: -37.915
Base-Backbone interact. energy: -0.303
local terms energy: -59.945135
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -13.022
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: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -115.041487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.041487 (E_RNA)
where:
Base-Base interactions energy: -61.519
where: short stacking energy: -40.469
Base-Backbone interact. energy: -0.029
local terms energy: -53.493417
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -87.336132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.336132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.336132 (E_RNA)
where:
Base-Base interactions energy: -45.549
where: short stacking energy: -30.665
Base-Backbone interact. energy: -0.115
local terms energy: -41.672326
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.020
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -78.655734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655734 (E_RNA)
where:
Base-Base interactions energy: -23.015
where: short stacking energy: -23.515
Base-Backbone interact. energy: -0.055
local terms energy: -55.586022
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -77.777943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.777943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.777943 (E_RNA)
where:
Base-Base interactions energy: -23.514
where: short stacking energy: -19.495
Base-Backbone interact. energy: 0.509
local terms energy: -54.772767
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -2.345
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: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -77.370107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.370107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.370107 (E_RNA)
where:
Base-Base interactions energy: -29.451
where: short stacking energy: -29.451
Base-Backbone interact. energy: -0.023
local terms energy: -47.896049
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -6.755
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: 270
Temperature: 0.900000
Total energy: -187.536353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.536353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.536353 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.399
local terms energy: -71.100770
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -178.420515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.420515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.420515 (E_RNA)
where:
Base-Base interactions energy: -114.241
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.090
local terms energy: -64.089804
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.917
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -159.967726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.967726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.967726 (E_RNA)
where:
Base-Base interactions energy: -98.654
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.004
local terms energy: -61.309520
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -156.847406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.847406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.847406 (E_RNA)
where:
Base-Base interactions energy: -91.135
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.563
local terms energy: -65.150028
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -14.341
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -151.442748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.442748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.442748 (E_RNA)
where:
Base-Base interactions energy: -89.565
where: short stacking energy: -41.411
Base-Backbone interact. energy: -0.186
local terms energy: -61.690905
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -12.349
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -97.850879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.850879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.850879 (E_RNA)
where:
Base-Base interactions energy: -52.728
where: short stacking energy: -32.510
Base-Backbone interact. energy: -0.297
local terms energy: -44.825648
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -84.362468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362468 (E_RNA)
where:
Base-Base interactions energy: -35.740
where: short stacking energy: -31.045
Base-Backbone interact. energy: 0.150
local terms energy: -48.772324
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: 0.062
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: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -83.578011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578011 (E_RNA)
where:
Base-Base interactions energy: -51.555
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.378
local terms energy: -31.645367
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: 2.553
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -83.150577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150577 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.092
local terms energy: -49.013129
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.683
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: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -70.843246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.843246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.843246 (E_RNA)
where:
Base-Base interactions energy: -19.933
where: short stacking energy: -16.241
Base-Backbone interact. energy: -0.131
local terms energy: -50.780034
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -186.237149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.237149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.237149 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.414
local terms energy: -67.777228
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -177.913044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.913044 (E_RNA)
where:
Base-Base interactions energy: -110.837
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.722
local terms energy: -66.354195
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -171.831629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831629 (E_RNA)
where:
Base-Base interactions energy: -110.677
where: short stacking energy: -48.089
Base-Backbone interact. energy: -0.950
local terms energy: -60.204564
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -148.806849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.806849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.806849 (E_RNA)
where:
Base-Base interactions energy: -97.757
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.346
local terms energy: -50.704476
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -11.706
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: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -139.156771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.156771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.156771 (E_RNA)
where:
Base-Base interactions energy: -84.276
where: short stacking energy: -32.516
Base-Backbone interact. energy: -0.076
local terms energy: -54.804735
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -92.445779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445779 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.083
local terms energy: -53.066906
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -5.541
flat angles P-C4'-P energy: -9.492
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: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -88.406526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406526 (E_RNA)
where:
Base-Base interactions energy: -40.811
where: short stacking energy: -32.033
Base-Backbone interact. energy: -0.104
local terms energy: -47.491554
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -83.378069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.378069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.378069 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.143
local terms energy: -45.588050
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.967
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: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -62.001312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.001312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.001312 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.979
Base-Backbone interact. energy: -0.062
local terms energy: -49.960562
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -0.380
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: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -65.028387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.028387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.028387 (E_RNA)
where:
Base-Base interactions energy: -14.343
where: short stacking energy: -14.169
Base-Backbone interact. energy: 0.216
local terms energy: -50.901473
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -5.258
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: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -176.810043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.810043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.810043 (E_RNA)
where:
Base-Base interactions energy: -109.050
where: short stacking energy: -53.583
Base-Backbone interact. energy: -0.024
local terms energy: -67.736185
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -182.244966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244966 (E_RNA)
where:
Base-Base interactions energy: -116.755
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.003
local terms energy: -65.487252
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -179.301323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.301323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.301323 (E_RNA)
where:
Base-Base interactions energy: -113.959
where: short stacking energy: -54.915
Base-Backbone interact. energy: -0.027
local terms energy: -65.315247
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -160.945444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.945444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.945444 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.653
local terms energy: -64.786168
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -137.464911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.464911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.464911 (E_RNA)
where:
Base-Base interactions energy: -83.155
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.335
local terms energy: -53.975402
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -87.936570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.936570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.936570 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -31.487
Base-Backbone interact. energy: 1.767
local terms energy: -53.463010
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -83.489904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.489904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.489904 (E_RNA)
where:
Base-Base interactions energy: -44.327
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.071
local terms energy: -39.092174
where:
bonds (distance) C4'-P energy: -6.553
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -2.400
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: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -84.813734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813734 (E_RNA)
where:
Base-Base interactions energy: -38.859
where: short stacking energy: -25.787
Base-Backbone interact. energy: -0.085
local terms energy: -45.869897
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -67.558647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.558647 (E_RNA)
where:
Base-Base interactions energy: -32.665
where: short stacking energy: -29.216
Base-Backbone interact. energy: 0.079
local terms energy: -34.972259
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -2.629
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -67.437182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.437182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.437182 (E_RNA)
where:
Base-Base interactions energy: -16.816
where: short stacking energy: -11.614
Base-Backbone interact. energy: -0.766
local terms energy: -49.854279
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -187.716273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.716273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.716273 (E_RNA)
where:
Base-Base interactions energy: -121.904
where: short stacking energy: -62.180
Base-Backbone interact. energy: -0.001
local terms energy: -65.810649
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -17.436
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: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -187.316495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.316495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.316495 (E_RNA)
where:
Base-Base interactions energy: -111.848
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.000
local terms energy: -75.468246
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -179.049912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.049912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.049912 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.089
local terms energy: -67.971713
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -173.585626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.585626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.585626 (E_RNA)
where:
Base-Base interactions energy: -108.597
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.603
local terms energy: -64.385879
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -144.418260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.418260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.418260 (E_RNA)
where:
Base-Base interactions energy: -88.894
where: short stacking energy: -48.320
Base-Backbone interact. energy: -0.242
local terms energy: -55.282103
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -10.593
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: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -87.615318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.615318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.615318 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.106
local terms energy: -51.896870
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -7.198
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: 273
Temperature: 1.200000
Total energy: -81.599819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.599819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.599819 (E_RNA)
where:
Base-Base interactions energy: -44.111
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.109
local terms energy: -37.379630
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -4.767
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: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -82.995053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995053 (E_RNA)
where:
Base-Base interactions energy: -38.341
where: short stacking energy: -27.436
Base-Backbone interact. energy: -0.265
local terms energy: -44.388954
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -77.379911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.379911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.379911 (E_RNA)
where:
Base-Base interactions energy: -31.425
where: short stacking energy: -21.250
Base-Backbone interact. energy: -0.114
local terms energy: -45.841189
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -73.869027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.869027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.869027 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -23.943
Base-Backbone interact. energy: 0.249
local terms energy: -41.597522
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -173.612410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.612410 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.610
local terms energy: -67.137523
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -180.722411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.722411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.722411 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -59.091
Base-Backbone interact. energy: -1.101
local terms energy: -66.676943
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -174.130690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.130690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.130690 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.816
local terms energy: -64.040869
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -178.786891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.786891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.786891 (E_RNA)
where:
Base-Base interactions energy: -111.274
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.309
local terms energy: -67.204094
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -130.777458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.777458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.777458 (E_RNA)
where:
Base-Base interactions energy: -73.701
where: short stacking energy: -35.030
Base-Backbone interact. energy: -0.635
local terms energy: -56.441249
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -88.042747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042747 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.066
local terms energy: -55.017605
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -99.669412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.669412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.669412 (E_RNA)
where:
Base-Base interactions energy: -50.342
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.227
local terms energy: -49.100010
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -6.263
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: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -85.574965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.574965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.574965 (E_RNA)
where:
Base-Base interactions energy: -37.605
where: short stacking energy: -21.356
Base-Backbone interact. energy: -0.212
local terms energy: -47.758400
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -74.905124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.905124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.905124 (E_RNA)
where:
Base-Base interactions energy: -33.626
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.086
local terms energy: -41.193190
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.993711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.993711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.993711 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -22.268
Base-Backbone interact. energy: -0.035
local terms energy: -45.424324
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -186.285643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.285643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.285643 (E_RNA)
where:
Base-Base interactions energy: -116.984
where: short stacking energy: -60.599
Base-Backbone interact. energy: -1.126
local terms energy: -68.175567
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -18.303
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -159.196583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196583 (E_RNA)
where:
Base-Base interactions energy: -99.613
where: short stacking energy: -42.264
Base-Backbone interact. energy: -0.111
local terms energy: -59.472718
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -172.472725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.472725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.472725 (E_RNA)
where:
Base-Base interactions energy: -110.044
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.876
local terms energy: -61.552095
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -169.403909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.403909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.403909 (E_RNA)
where:
Base-Base interactions energy: -107.818
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.097
local terms energy: -61.488919
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -140.501422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.501422 (E_RNA)
where:
Base-Base interactions energy: -92.110
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.431
local terms energy: -47.959789
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -8.679
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -8.600
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: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -97.515657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.515657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.515657 (E_RNA)
where:
Base-Base interactions energy: -60.140
where: short stacking energy: -35.160
Base-Backbone interact. energy: -0.178
local terms energy: -37.198512
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -6.077
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: 0.618
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -88.146601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146601 (E_RNA)
where:
Base-Base interactions energy: -40.933
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.243
local terms energy: -46.971130
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -0.081
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: 275
Temperature: 1.250000
Total energy: -90.180091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180091 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -22.954
Base-Backbone interact. energy: -0.530
local terms energy: -49.116489
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -5.822
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: 275
Temperature: 1.300000
Total energy: -67.611216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.611216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.611216 (E_RNA)
where:
Base-Base interactions energy: -24.362
where: short stacking energy: -10.096
Base-Backbone interact. energy: -0.209
local terms energy: -43.039832
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -70.498897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.498897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.498897 (E_RNA)
where:
Base-Base interactions energy: -27.930
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.248
local terms energy: -42.320550
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -183.714136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.714136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.714136 (E_RNA)
where:
Base-Base interactions energy: -116.673
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.157
local terms energy: -66.884257
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -18.098
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: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -172.457136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.457136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.457136 (E_RNA)
where:
Base-Base interactions energy: -120.816
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.453
local terms energy: -51.187429
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -171.790476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790476 (E_RNA)
where:
Base-Base interactions energy: -113.723
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.001
local terms energy: -58.067126
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -15.379
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: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -166.225637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.225637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.225637 (E_RNA)
where:
Base-Base interactions energy: -103.130
where: short stacking energy: -55.461
Base-Backbone interact. energy: -0.384
local terms energy: -62.712131
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -5.896
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: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -109.498779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.498779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.498779 (E_RNA)
where:
Base-Base interactions energy: -57.027
where: short stacking energy: -34.673
Base-Backbone interact. energy: -0.182
local terms energy: -52.289469
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -130.911834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.911834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.911834 (E_RNA)
where:
Base-Base interactions energy: -81.149
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.013
local terms energy: -49.750125
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -76.970627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.970627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.970627 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.025
local terms energy: -46.696028
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -6.509
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: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -77.835179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.835179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.835179 (E_RNA)
where:
Base-Base interactions energy: -25.923
where: short stacking energy: -25.923
Base-Backbone interact. energy: -0.005
local terms energy: -51.907181
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -8.375
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: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -74.912879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.912879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.912879 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -21.866
Base-Backbone interact. energy: -0.395
local terms energy: -42.620350
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.466
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: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.354659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.354659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.354659 (E_RNA)
where:
Base-Base interactions energy: -26.967
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.216
local terms energy: -53.172013
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -185.501532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.501532 (E_RNA)
where:
Base-Base interactions energy: -115.852
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.876
local terms energy: -68.773612
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -173.024725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.024725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.024725 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.121
local terms energy: -68.843810
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -15.376
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -178.277009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.277009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.277009 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.250
local terms energy: -61.137625
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -171.888701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.888701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.888701 (E_RNA)
where:
Base-Base interactions energy: -108.478
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.001
local terms energy: -63.409369
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -134.572987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.572987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.572987 (E_RNA)
where:
Base-Base interactions energy: -76.715
where: short stacking energy: -43.464
Base-Backbone interact. energy: -0.103
local terms energy: -57.755622
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -138.385494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.385494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.385494 (E_RNA)
where:
Base-Base interactions energy: -82.810
where: short stacking energy: -46.066
Base-Backbone interact. energy: 0.017
local terms energy: -55.592996
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -77.116743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.116743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.116743 (E_RNA)
where:
Base-Base interactions energy: -35.099
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.147
local terms energy: -41.870812
where:
bonds (distance) C4'-P energy: -4.970
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.313
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: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -81.525451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525451 (E_RNA)
where:
Base-Base interactions energy: -35.724
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.096
local terms energy: -45.706030
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -84.661793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661793 (E_RNA)
where:
Base-Base interactions energy: -42.669
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.002
local terms energy: -41.991291
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -74.500616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.500616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.500616 (E_RNA)
where:
Base-Base interactions energy: -26.603
where: short stacking energy: -26.603
Base-Backbone interact. energy: 0.182
local terms energy: -48.079927
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -2.217
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: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -178.212434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.212434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.212434 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -48.808
Base-Backbone interact. energy: -0.773
local terms energy: -66.449916
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -13.980
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -185.478668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478668 (E_RNA)
where:
Base-Base interactions energy: -112.443
where: short stacking energy: -61.196
Base-Backbone interact. energy: -0.620
local terms energy: -72.415158
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -172.527224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.527224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527224 (E_RNA)
where:
Base-Base interactions energy: -109.809
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.479
local terms energy: -62.238458
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.759
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: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -169.513195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513195 (E_RNA)
where:
Base-Base interactions energy: -107.703
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.744
local terms energy: -61.066338
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -18.039
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: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -117.366050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.366050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.366050 (E_RNA)
where:
Base-Base interactions energy: -59.159
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.210
local terms energy: -57.996944
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -6.222
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: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -129.954318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.954318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.954318 (E_RNA)
where:
Base-Base interactions energy: -69.440
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.092
local terms energy: -60.422041
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -106.048079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.048079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.048079 (E_RNA)
where:
Base-Base interactions energy: -57.897
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.623
local terms energy: -47.527513
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -90.474397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.474397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.474397 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.018
local terms energy: -50.439958
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -65.965730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.965730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.965730 (E_RNA)
where:
Base-Base interactions energy: -14.921
where: short stacking energy: -14.834
Base-Backbone interact. energy: -1.414
local terms energy: -49.630281
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -0.833
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: 278
Temperature: 1.350000
Total energy: -69.153534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.153534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.153534 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -12.431
Base-Backbone interact. energy: -0.278
local terms energy: -37.747175
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -175.399929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.399929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.399929 (E_RNA)
where:
Base-Base interactions energy: -104.667
where: short stacking energy: -62.185
Base-Backbone interact. energy: -0.048
local terms energy: -70.684840
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -172.458695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.458695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.458695 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.925
local terms energy: -59.148518
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -172.913522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.913522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.913522 (E_RNA)
where:
Base-Base interactions energy: -103.026
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.166
local terms energy: -69.722046
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -163.593975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.593975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.593975 (E_RNA)
where:
Base-Base interactions energy: -98.323
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.092
local terms energy: -65.179154
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -116.202399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.202399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.202399 (E_RNA)
where:
Base-Base interactions energy: -62.056
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.791
local terms energy: -53.355486
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -141.031057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.031057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.031057 (E_RNA)
where:
Base-Base interactions energy: -82.476
where: short stacking energy: -40.071
Base-Backbone interact. energy: 0.604
local terms energy: -59.158448
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -95.507879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.507879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.507879 (E_RNA)
where:
Base-Base interactions energy: -47.498
where: short stacking energy: -24.288
Base-Backbone interact. energy: -0.032
local terms energy: -47.978318
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -73.416822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.416822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.416822 (E_RNA)
where:
Base-Base interactions energy: -24.640
where: short stacking energy: -21.847
Base-Backbone interact. energy: -0.133
local terms energy: -48.644366
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -83.436642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436642 (E_RNA)
where:
Base-Base interactions energy: -27.158
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.097
local terms energy: -56.181688
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -10.746
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: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -64.791239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.791239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.791239 (E_RNA)
where:
Base-Base interactions energy: -20.347
where: short stacking energy: -19.195
Base-Backbone interact. energy: -0.043
local terms energy: -44.401094
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: 2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -174.415699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.415699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.415699 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -47.509
Base-Backbone interact. energy: -0.539
local terms energy: -65.519945
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -169.622958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.622958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.622958 (E_RNA)
where:
Base-Base interactions energy: -109.650
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.009
local terms energy: -59.963607
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -180.253407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.253407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.253407 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.548
local terms energy: -59.150307
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -155.282613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.282613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.282613 (E_RNA)
where:
Base-Base interactions energy: -90.770
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.143
local terms energy: -64.369928
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -141.974536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.974536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.974536 (E_RNA)
where:
Base-Base interactions energy: -93.628
where: short stacking energy: -45.898
Base-Backbone interact. energy: -0.076
local terms energy: -48.270308
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -7.107
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -94.799582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.799582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.799582 (E_RNA)
where:
Base-Base interactions energy: -41.368
where: short stacking energy: -41.368
Base-Backbone interact. energy: -0.001
local terms energy: -53.430403
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -87.968013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968013 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -28.853
Base-Backbone interact. energy: 0.240
local terms energy: -59.354682
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -77.478765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.478765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.478765 (E_RNA)
where:
Base-Base interactions energy: -33.755
where: short stacking energy: -32.498
Base-Backbone interact. energy: -0.414
local terms energy: -43.309164
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -10.380
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: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -89.066824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.066824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.066824 (E_RNA)
where:
Base-Base interactions energy: -44.649
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.726
local terms energy: -43.691407
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -67.736500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.736500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.736500 (E_RNA)
where:
Base-Base interactions energy: -19.558
where: short stacking energy: -19.558
Base-Backbone interact. energy: -0.111
local terms energy: -48.066889
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -179.240135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.240135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.240135 (E_RNA)
where:
Base-Base interactions energy: -109.027
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.812
local terms energy: -69.401946
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -182.623662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.623662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.623662 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -45.979
Base-Backbone interact. energy: -0.106
local terms energy: -60.265537
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -172.251998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.251998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.251998 (E_RNA)
where:
Base-Base interactions energy: -105.323
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.900
local terms energy: -66.029128
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.297
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: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -154.411800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.411800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.411800 (E_RNA)
where:
Base-Base interactions energy: -92.192
where: short stacking energy: -43.747
Base-Backbone interact. energy: -1.023
local terms energy: -61.196341
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.987
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: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -174.014033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014033 (E_RNA)
where:
Base-Base interactions energy: -113.695
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.714
local terms energy: -59.604907
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.788
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: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -95.549180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549180 (E_RNA)
where:
Base-Base interactions energy: -47.557
where: short stacking energy: -33.295
Base-Backbone interact. energy: -0.686
local terms energy: -47.305875
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -6.260
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -80.907057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.907057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.907057 (E_RNA)
where:
Base-Base interactions energy: -33.962
where: short stacking energy: -27.609
Base-Backbone interact. energy: -0.079
local terms energy: -46.866213
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -10.499
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: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -86.789630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.789630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.789630 (E_RNA)
where:
Base-Base interactions energy: -41.331
where: short stacking energy: -26.015
Base-Backbone interact. energy: -0.109
local terms energy: -45.349889
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: 0.360
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.192761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192761 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -21.732
Base-Backbone interact. energy: -0.027
local terms energy: -46.441760
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -64.109207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.109207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.109207 (E_RNA)
where:
Base-Base interactions energy: -24.836
where: short stacking energy: -20.754
Base-Backbone interact. energy: 0.535
local terms energy: -39.807588
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -184.227671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.227671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.227671 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.331
local terms energy: -64.682125
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -170.565347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.565347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.565347 (E_RNA)
where:
Base-Base interactions energy: -101.384
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.358
local terms energy: -68.823629
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -9.650
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: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -168.140446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.140446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.140446 (E_RNA)
where:
Base-Base interactions energy: -98.137
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.306
local terms energy: -69.697408
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -18.053
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: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -149.701781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.701781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.701781 (E_RNA)
where:
Base-Base interactions energy: -84.847
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.055
local terms energy: -64.799257
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -16.172
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -167.401341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.401341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.401341 (E_RNA)
where:
Base-Base interactions energy: -114.485
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.107
local terms energy: -52.810052
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -90.139848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.139848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.139848 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -33.312
Base-Backbone interact. energy: -0.119
local terms energy: -56.708980
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -8.409
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: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -71.695393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.695393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.695393 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.209
local terms energy: -44.489117
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -8.596
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: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -76.880132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.880132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.880132 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.122
local terms energy: -41.108826
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -68.439805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.439805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.439805 (E_RNA)
where:
Base-Base interactions energy: -26.318
where: short stacking energy: -17.994
Base-Backbone interact. energy: -0.351
local terms energy: -41.770949
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: 0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -81.009953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.009953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.009953 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -14.353
Base-Backbone interact. energy: -0.465
local terms energy: -45.572757
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: 4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -184.869823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.869823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.869823 (E_RNA)
where:
Base-Base interactions energy: -119.819
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.527
local terms energy: -64.523793
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.684
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: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -172.745524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.745524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.745524 (E_RNA)
where:
Base-Base interactions energy: -119.131
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.177
local terms energy: -53.437029
where:
bonds (distance) C4'-P energy: -6.914
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -9.279
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: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -161.488305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.488305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.488305 (E_RNA)
where:
Base-Base interactions energy: -100.786
where: short stacking energy: -42.109
Base-Backbone interact. energy: -1.077
local terms energy: -59.625070
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -140.811153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.811153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.811153 (E_RNA)
where:
Base-Base interactions energy: -77.970
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.777
local terms energy: -62.063922
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -160.225162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.225162 (E_RNA)
where:
Base-Base interactions energy: -94.419
where: short stacking energy: -48.955
Base-Backbone interact. energy: -0.006
local terms energy: -65.800482
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -116.721004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.721004 (E_RNA)
where:
Base-Base interactions energy: -67.077
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.008
local terms energy: -49.636006
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -83.953118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.953118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.953118 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -33.000
Base-Backbone interact. energy: 0.068
local terms energy: -51.021104
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -94.773217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.773217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.773217 (E_RNA)
where:
Base-Base interactions energy: -49.223
where: short stacking energy: -24.623
Base-Backbone interact. energy: -0.438
local terms energy: -45.112538
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.464
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: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -78.544307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.544307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.544307 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -19.147
Base-Backbone interact. energy: -0.778
local terms energy: -45.254364
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -64.698566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.698566 (E_RNA)
where:
Base-Base interactions energy: -19.736
where: short stacking energy: -19.736
Base-Backbone interact. energy: -0.230
local terms energy: -44.732991
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -178.472986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.472986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.472986 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -55.534
Base-Backbone interact. energy: -1.105
local terms energy: -54.769447
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -13.943
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: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -185.318956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.318956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.318956 (E_RNA)
where:
Base-Base interactions energy: -122.988
where: short stacking energy: -40.416
Base-Backbone interact. energy: -0.639
local terms energy: -61.691290
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -175.440249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.440249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.440249 (E_RNA)
where:
Base-Base interactions energy: -111.519
where: short stacking energy: -51.152
Base-Backbone interact. energy: -0.988
local terms energy: -62.933979
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -141.012687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.012687 (E_RNA)
where:
Base-Base interactions energy: -87.798
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.240
local terms energy: -52.975083
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -152.209682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.209682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.209682 (E_RNA)
where:
Base-Base interactions energy: -93.883
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.003
local terms energy: -58.323382
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -13.508
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: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -127.662611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.662611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.662611 (E_RNA)
where:
Base-Base interactions energy: -74.768
where: short stacking energy: -33.959
Base-Backbone interact. energy: 0.262
local terms energy: -53.156401
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.851
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: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -90.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.631966 (E_RNA)
where:
Base-Base interactions energy: -43.899
where: short stacking energy: -21.708
Base-Backbone interact. energy: -0.195
local terms energy: -46.537925
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 0.805
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: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -77.803258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.803258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.803258 (E_RNA)
where:
Base-Base interactions energy: -32.138
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.010
local terms energy: -45.655309
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -7.769
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: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -68.093083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.093083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.093083 (E_RNA)
where:
Base-Base interactions energy: -27.453
where: short stacking energy: -21.609
Base-Backbone interact. energy: 0.491
local terms energy: -41.130691
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -73.616296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.616296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.616296 (E_RNA)
where:
Base-Base interactions energy: -23.763
where: short stacking energy: -18.379
Base-Backbone interact. energy: -0.405
local terms energy: -49.449013
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -186.007967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.007967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.007967 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.577
local terms energy: -65.878072
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -173.683174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.683174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.683174 (E_RNA)
where:
Base-Base interactions energy: -106.873
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.046
local terms energy: -66.763623
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -181.805805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.805805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.805805 (E_RNA)
where:
Base-Base interactions energy: -120.090
where: short stacking energy: -48.791
Base-Backbone interact. energy: -0.454
local terms energy: -61.261900
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -174.707807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.707807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.707807 (E_RNA)
where:
Base-Base interactions energy: -121.590
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.112
local terms energy: -53.006226
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -3.690
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: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -148.782566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.782566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.782566 (E_RNA)
where:
Base-Base interactions energy: -86.325
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.860
local terms energy: -61.597006
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -12.239
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -130.086222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.086222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.086222 (E_RNA)
where:
Base-Base interactions energy: -80.246
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.522
local terms energy: -49.318002
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -82.111387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.111387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.111387 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.172
local terms energy: -45.227334
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -5.085
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: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -81.431049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.431049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.431049 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.564
local terms energy: -46.190843
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.518
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: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -76.837139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.837139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.837139 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -31.801
Base-Backbone interact. energy: -0.054
local terms energy: -44.981781
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -6.200
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: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -91.185267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185267 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.102
local terms energy: -51.628272
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -187.388136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.388136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.388136 (E_RNA)
where:
Base-Base interactions energy: -121.244
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.643
local terms energy: -65.500986
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -187.658579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.658579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.658579 (E_RNA)
where:
Base-Base interactions energy: -119.413
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.002
local terms energy: -68.243833
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -16.881
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: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -182.053637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.053637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.053637 (E_RNA)
where:
Base-Base interactions energy: -129.552
where: short stacking energy: -44.672
Base-Backbone interact. energy: -0.750
local terms energy: -51.751461
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -163.875945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.875945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.875945 (E_RNA)
where:
Base-Base interactions energy: -102.998
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.128
local terms energy: -60.750125
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -123.223272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.223272 (E_RNA)
where:
Base-Base interactions energy: -73.795
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.073
local terms energy: -49.355285
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -9.023
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: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -133.549264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.549264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.549264 (E_RNA)
where:
Base-Base interactions energy: -75.590
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.164
local terms energy: -57.795185
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -82.898282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.898282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.898282 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -22.569
Base-Backbone interact. energy: -0.242
local terms energy: -50.290248
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: 2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -79.097812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.097812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.097812 (E_RNA)
where:
Base-Base interactions energy: -26.275
where: short stacking energy: -25.878
Base-Backbone interact. energy: -0.031
local terms energy: -52.791116
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.239
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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -82.907215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.907215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.907215 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -37.682
Base-Backbone interact. energy: -0.028
local terms energy: -45.196971
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -65.354789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.354789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.354789 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -20.139
Base-Backbone interact. energy: 1.969
local terms energy: -36.796967
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -5.215
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -189.546301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.546301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.546301 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.390
local terms energy: -71.024598
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -186.999635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.999635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.999635 (E_RNA)
where:
Base-Base interactions energy: -119.963
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.059
local terms energy: -66.977532
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -178.573958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573958 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -55.206
Base-Backbone interact. energy: -0.109
local terms energy: -59.213234
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -13.462
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: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -175.191629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.191629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.191629 (E_RNA)
where:
Base-Base interactions energy: -114.391
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.154
local terms energy: -60.646191
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -147.643663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.643663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.643663 (E_RNA)
where:
Base-Base interactions energy: -94.114
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.151
local terms energy: -53.379003
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -138.119412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.119412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.119412 (E_RNA)
where:
Base-Base interactions energy: -79.795
where: short stacking energy: -48.482
Base-Backbone interact. energy: -0.637
local terms energy: -57.687742
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -87.818374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.818374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.818374 (E_RNA)
where:
Base-Base interactions energy: -29.192
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.212
local terms energy: -58.414308
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -122.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.767793 (E_RNA)
where:
Base-Base interactions energy: -67.428
where: short stacking energy: -30.807
Base-Backbone interact. energy: 0.472
local terms energy: -55.812168
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -74.514634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.514634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.514634 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.025
local terms energy: -47.773197
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -65.566520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.566520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.566520 (E_RNA)
where:
Base-Base interactions energy: -21.997
where: short stacking energy: -21.997
Base-Backbone interact. energy: 0.137
local terms energy: -43.707231
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -182.371146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.371146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.371146 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.019
local terms energy: -70.982217
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -13.892
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: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -177.456006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.456006 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.428
local terms energy: -52.701138
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -173.723272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723272 (E_RNA)
where:
Base-Base interactions energy: -113.739
where: short stacking energy: -51.690
Base-Backbone interact. energy: -0.047
local terms energy: -59.936750
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -152.416277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.416277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.416277 (E_RNA)
where:
Base-Base interactions energy: -94.289
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.075
local terms energy: -58.052193
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -152.060275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.060275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.060275 (E_RNA)
where:
Base-Base interactions energy: -91.280
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.097
local terms energy: -60.683693
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -125.174685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.174685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.174685 (E_RNA)
where:
Base-Base interactions energy: -74.657
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.252
local terms energy: -50.266041
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -6.665
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -108.914606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.914606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.914606 (E_RNA)
where:
Base-Base interactions energy: -57.217
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.064
local terms energy: -51.633645
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -83.730567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.730567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.730567 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -18.373
Base-Backbone interact. energy: 0.416
local terms energy: -45.837406
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -69.313471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.313471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.313471 (E_RNA)
where:
Base-Base interactions energy: -23.732
where: short stacking energy: -19.876
Base-Backbone interact. energy: -0.093
local terms energy: -45.488447
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -69.840763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.840763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.840763 (E_RNA)
where:
Base-Base interactions energy: -23.805
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.282
local terms energy: -45.754146
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -182.864779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.864779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.864779 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.002
local terms energy: -68.747622
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -165.006579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.006579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.006579 (E_RNA)
where:
Base-Base interactions energy: -111.562
where: short stacking energy: -38.875
Base-Backbone interact. energy: -0.773
local terms energy: -52.671608
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -169.943631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.943631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.943631 (E_RNA)
where:
Base-Base interactions energy: -112.652
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.878
local terms energy: -56.413498
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -12.346
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: 289
Temperature: 1.050000
Total energy: -153.554758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.554758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.554758 (E_RNA)
where:
Base-Base interactions energy: -101.003
where: short stacking energy: -42.489
Base-Backbone interact. energy: -0.442
local terms energy: -52.110444
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -10.175
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: 289
Temperature: 1.100000
Total energy: -159.884324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.884324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.884324 (E_RNA)
where:
Base-Base interactions energy: -92.761
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.009
local terms energy: -67.114397
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -136.386307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.386307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.386307 (E_RNA)
where:
Base-Base interactions energy: -75.772
where: short stacking energy: -33.680
Base-Backbone interact. energy: -0.390
local terms energy: -60.224100
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -87.414528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414528 (E_RNA)
where:
Base-Base interactions energy: -41.629
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.113
local terms energy: -45.672501
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -5.699
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: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -78.579230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.579230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.579230 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.114
local terms energy: -41.740448
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -84.124266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.124266 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -31.029
Base-Backbone interact. energy: -0.353
local terms energy: -43.753651
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -8.489
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: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -76.782146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.782146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.782146 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.029
local terms energy: -52.346072
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -185.860616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860616 (E_RNA)
where:
Base-Base interactions energy: -118.750
where: short stacking energy: -54.686
Base-Backbone interact. energy: -1.353
local terms energy: -65.757739
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -170.639070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.639070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.639070 (E_RNA)
where:
Base-Base interactions energy: -108.681
where: short stacking energy: -45.348
Base-Backbone interact. energy: -0.793
local terms energy: -61.165208
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -12.180
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -167.879775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.879775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.879775 (E_RNA)
where:
Base-Base interactions energy: -107.691
where: short stacking energy: -44.807
Base-Backbone interact. energy: 0.707
local terms energy: -60.895423
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -160.144285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.144285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.144285 (E_RNA)
where:
Base-Base interactions energy: -92.676
where: short stacking energy: -38.895
Base-Backbone interact. energy: -0.302
local terms energy: -67.166385
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -144.053980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.053980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.053980 (E_RNA)
where:
Base-Base interactions energy: -83.689
where: short stacking energy: -43.729
Base-Backbone interact. energy: -0.047
local terms energy: -60.318076
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -158.216970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.216970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.216970 (E_RNA)
where:
Base-Base interactions energy: -90.656
where: short stacking energy: -36.731
Base-Backbone interact. energy: -1.295
local terms energy: -66.266012
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -13.613
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -81.984262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984262 (E_RNA)
where:
Base-Base interactions energy: -36.987
where: short stacking energy: -25.437
Base-Backbone interact. energy: -0.018
local terms energy: -44.979004
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -77.377289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.377289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.377289 (E_RNA)
where:
Base-Base interactions energy: -24.383
where: short stacking energy: -17.494
Base-Backbone interact. energy: -0.142
local terms energy: -52.852123
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -1.854
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: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -85.990460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990460 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.004
local terms energy: -48.889817
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.683
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: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -66.201527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.201527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.201527 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -20.825
Base-Backbone interact. energy: -1.127
local terms energy: -34.382875
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: 0.708
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -185.322544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.322544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.322544 (E_RNA)
where:
Base-Base interactions energy: -119.318
where: short stacking energy: -44.549
Base-Backbone interact. energy: -0.465
local terms energy: -65.539303
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.815
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: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -170.586636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.586636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.586636 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.064
local terms energy: -62.263586
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -12.438
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: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -168.922614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.922614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.922614 (E_RNA)
where:
Base-Base interactions energy: -104.553
where: short stacking energy: -54.255
Base-Backbone interact. energy: -0.176
local terms energy: -64.193898
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -151.049150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.049150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.049150 (E_RNA)
where:
Base-Base interactions energy: -89.785
where: short stacking energy: -48.039
Base-Backbone interact. energy: -0.291
local terms energy: -60.973101
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -111.534690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.534690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.534690 (E_RNA)
where:
Base-Base interactions energy: -65.460
where: short stacking energy: -24.042
Base-Backbone interact. energy: 0.006
local terms energy: -46.080360
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: 2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -155.489871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.489871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.489871 (E_RNA)
where:
Base-Base interactions energy: -94.277
where: short stacking energy: -46.519
Base-Backbone interact. energy: -0.156
local terms energy: -61.056497
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -79.633029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633029 (E_RNA)
where:
Base-Base interactions energy: -31.757
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.275
local terms energy: -47.600901
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -75.149261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.149261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.149261 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.136
local terms energy: -43.448485
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -82.690478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690478 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -36.882
Base-Backbone interact. energy: -0.012
local terms energy: -45.796019
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -6.514
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: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -69.794788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.794788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.794788 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -22.612
Base-Backbone interact. energy: -0.007
local terms energy: -41.569336
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -190.075479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.075479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.075479 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -61.286
Base-Backbone interact. energy: -1.381
local terms energy: -60.561786
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -13.442
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -164.913902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.913902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.913902 (E_RNA)
where:
Base-Base interactions energy: -110.114
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.118
local terms energy: -54.682172
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -10.524
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -166.191375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.191375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.191375 (E_RNA)
where:
Base-Base interactions energy: -99.142
where: short stacking energy: -49.188
Base-Backbone interact. energy: -1.140
local terms energy: -65.910184
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -166.828331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.828331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.828331 (E_RNA)
where:
Base-Base interactions energy: -105.688
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.138
local terms energy: -61.001960
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -156.617025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.617025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.617025 (E_RNA)
where:
Base-Base interactions energy: -93.504
where: short stacking energy: -50.286
Base-Backbone interact. energy: -0.227
local terms energy: -62.886128
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -98.504674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.504674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.504674 (E_RNA)
where:
Base-Base interactions energy: -56.217
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.103
local terms energy: -42.184871
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -83.624574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624574 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -36.305
Base-Backbone interact. energy: -0.143
local terms energy: -47.176377
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -6.583
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: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -74.424271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.424271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.424271 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -22.402
Base-Backbone interact. energy: -0.059
local terms energy: -49.335172
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -64.256946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.256946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.256946 (E_RNA)
where:
Base-Base interactions energy: -19.894
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.316
local terms energy: -44.047228
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -7.648
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -74.253355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.253355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.253355 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.075
local terms energy: -45.797695
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -7.457
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: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -185.459394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.459394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.459394 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.878
local terms energy: -66.194204
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -178.527610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.527610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.527610 (E_RNA)
where:
Base-Base interactions energy: -115.209
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.014
local terms energy: -63.304677
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -152.934896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.934896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.934896 (E_RNA)
where:
Base-Base interactions energy: -98.729
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.162
local terms energy: -54.044847
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -12.019
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -158.105241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.105241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.105241 (E_RNA)
where:
Base-Base interactions energy: -100.348
where: short stacking energy: -49.059
Base-Backbone interact. energy: -0.079
local terms energy: -57.678673
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -150.562849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.562849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.562849 (E_RNA)
where:
Base-Base interactions energy: -88.790
where: short stacking energy: -51.135
Base-Backbone interact. energy: 0.077
local terms energy: -61.849755
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -76.983505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.983505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.983505 (E_RNA)
where:
Base-Base interactions energy: -23.410
where: short stacking energy: -23.410
Base-Backbone interact. energy: 2.496
local terms energy: -56.069910
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -82.774749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774749 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -17.128
Base-Backbone interact. energy: -0.235
local terms energy: -47.396684
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -76.299620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299620 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -12.468
Base-Backbone interact. energy: -0.578
local terms energy: -44.951127
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -74.596079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.596079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.596079 (E_RNA)
where:
Base-Base interactions energy: -32.425
where: short stacking energy: -28.676
Base-Backbone interact. energy: -0.063
local terms energy: -42.108486
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -2.463
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -81.534212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534212 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.099
local terms energy: -37.392989
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -3.614
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: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -188.283872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.283872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.283872 (E_RNA)
where:
Base-Base interactions energy: -113.792
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.606
local terms energy: -73.885223
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -173.718381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.718381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.718381 (E_RNA)
where:
Base-Base interactions energy: -109.865
where: short stacking energy: -49.820
Base-Backbone interact. energy: -1.346
local terms energy: -62.507680
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -167.398128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.398128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.398128 (E_RNA)
where:
Base-Base interactions energy: -105.201
where: short stacking energy: -40.846
Base-Backbone interact. energy: 0.003
local terms energy: -62.200321
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -7.790
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: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -162.143489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.143489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.143489 (E_RNA)
where:
Base-Base interactions energy: -100.975
where: short stacking energy: -40.374
Base-Backbone interact. energy: 0.037
local terms energy: -61.206186
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -10.216
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -154.261799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.261799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.261799 (E_RNA)
where:
Base-Base interactions energy: -87.613
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.038
local terms energy: -66.611556
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -94.640204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.640204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.640204 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.115
local terms energy: -57.237379
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -78.194247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.194247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.194247 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -24.739
Base-Backbone interact. energy: 0.020
local terms energy: -39.818549
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -77.375809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.375809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.375809 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -21.722
Base-Backbone interact. energy: 0.997
local terms energy: -45.531327
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -0.769
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -75.182147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.182147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.182147 (E_RNA)
where:
Base-Base interactions energy: -36.588
where: short stacking energy: -29.039
Base-Backbone interact. energy: 0.132
local terms energy: -38.725950
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -67.712830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.712830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.712830 (E_RNA)
where:
Base-Base interactions energy: -27.156
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.309
local terms energy: -40.247460
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -7.915
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: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -187.984803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.984803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.984803 (E_RNA)
where:
Base-Base interactions energy: -118.029
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.302
local terms energy: -69.653231
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.237
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: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -162.309817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.309817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.309817 (E_RNA)
where:
Base-Base interactions energy: -104.031
where: short stacking energy: -40.339
Base-Backbone interact. energy: -0.700
local terms energy: -57.578867
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.444
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -162.936867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.936867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.936867 (E_RNA)
where:
Base-Base interactions energy: -99.944
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.824
local terms energy: -62.168855
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -158.262026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.262026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.262026 (E_RNA)
where:
Base-Base interactions energy: -90.107
where: short stacking energy: -42.873
Base-Backbone interact. energy: -0.132
local terms energy: -68.022435
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -12.148
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: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -146.460990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.460990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.460990 (E_RNA)
where:
Base-Base interactions energy: -88.698
where: short stacking energy: -49.212
Base-Backbone interact. energy: -0.079
local terms energy: -57.684461
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -11.567
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: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -93.191435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.191435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.191435 (E_RNA)
where:
Base-Base interactions energy: -46.881
where: short stacking energy: -27.791
Base-Backbone interact. energy: -0.505
local terms energy: -45.806280
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -76.507625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507625 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -19.839
Base-Backbone interact. energy: -0.679
local terms energy: -47.308291
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -11.676
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: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -81.786709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786709 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -23.047
Base-Backbone interact. energy: 0.023
local terms energy: -46.685684
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -71.641546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.641546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.641546 (E_RNA)
where:
Base-Base interactions energy: -23.646
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.009
local terms energy: -47.986781
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -82.569445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.569445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.569445 (E_RNA)
where:
Base-Base interactions energy: -30.981
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.135
local terms energy: -51.453223
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -0.160
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -186.361509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.361509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.361509 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.629
local terms energy: -62.378938
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -167.058900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.058900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.058900 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -36.395
Base-Backbone interact. energy: -0.199
local terms energy: -49.236458
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -172.507857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.507857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.507857 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.307
local terms energy: -60.489880
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -164.019602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.019602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.019602 (E_RNA)
where:
Base-Base interactions energy: -101.931
where: short stacking energy: -44.122
Base-Backbone interact. energy: 0.139
local terms energy: -62.227775
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -153.919695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.919695 (E_RNA)
where:
Base-Base interactions energy: -90.638
where: short stacking energy: -41.115
Base-Backbone interact. energy: -0.597
local terms energy: -62.684402
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -94.047476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.047476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.047476 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.043
local terms energy: -55.043055
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -10.596
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: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -83.960218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.960218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.960218 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -15.359
Base-Backbone interact. energy: -0.372
local terms energy: -41.574107
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -3.875
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: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -109.357856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.357856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.357856 (E_RNA)
where:
Base-Base interactions energy: -67.207
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.193
local terms energy: -41.957945
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -70.906317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.906317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.906317 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -27.348
Base-Backbone interact. energy: -0.234
local terms energy: -38.078044
where:
bonds (distance) C4'-P energy: -5.406
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -80.027951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.027951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.027951 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.098
local terms energy: -45.407809
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -9.261
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -187.398459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.398459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.398459 (E_RNA)
where:
Base-Base interactions energy: -118.855
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.344
local terms energy: -68.198860
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -13.100
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -171.358278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.358278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.358278 (E_RNA)
where:
Base-Base interactions energy: -111.302
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.706
local terms energy: -59.350560
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -165.954442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.954442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.954442 (E_RNA)
where:
Base-Base interactions energy: -106.999
where: short stacking energy: -38.814
Base-Backbone interact. energy: -0.295
local terms energy: -58.660746
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -9.790
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -156.263108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.263108 (E_RNA)
where:
Base-Base interactions energy: -100.108
where: short stacking energy: -36.906
Base-Backbone interact. energy: -0.452
local terms energy: -55.703017
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -119.860709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.860709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.860709 (E_RNA)
where:
Base-Base interactions energy: -74.825
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.647
local terms energy: -44.388007
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -10.004
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: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -91.494885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494885 (E_RNA)
where:
Base-Base interactions energy: -39.619
where: short stacking energy: -38.813
Base-Backbone interact. energy: 0.486
local terms energy: -52.361875
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -85.190417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190417 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -27.545
Base-Backbone interact. energy: 0.884
local terms energy: -52.931975
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -4.448
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -92.919847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919847 (E_RNA)
where:
Base-Base interactions energy: -47.425
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.695
local terms energy: -44.800043
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -5.627
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: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -74.371298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371298 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -15.329
Base-Backbone interact. energy: 0.428
local terms energy: -43.777843
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -12.821
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: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -67.650059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.650059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.650059 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.304
local terms energy: -48.820535
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -188.076938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076938 (E_RNA)
where:
Base-Base interactions energy: -115.727
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.616
local terms energy: -71.734448
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -181.214480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.214480 (E_RNA)
where:
Base-Base interactions energy: -119.359
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.779
local terms energy: -61.076755
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -147.816807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.816807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.816807 (E_RNA)
where:
Base-Base interactions energy: -86.366
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.136
local terms energy: -61.315274
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -158.399971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.399971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.399971 (E_RNA)
where:
Base-Base interactions energy: -103.610
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.305
local terms energy: -54.484152
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -95.194397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.194397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.194397 (E_RNA)
where:
Base-Base interactions energy: -40.057
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.007
local terms energy: -55.130423
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -13.297
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -143.225189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.225189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.225189 (E_RNA)
where:
Base-Base interactions energy: -89.778
where: short stacking energy: -42.129
Base-Backbone interact. energy: -0.069
local terms energy: -53.378825
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -9.965
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -75.606402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.606402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.606402 (E_RNA)
where:
Base-Base interactions energy: -30.417
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.720
local terms energy: -44.469596
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -3.844
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: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -93.120526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120526 (E_RNA)
where:
Base-Base interactions energy: -44.820
where: short stacking energy: -44.820
Base-Backbone interact. energy: -0.114
local terms energy: -48.187122
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -72.962351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.962351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.962351 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -18.802
Base-Backbone interact. energy: -1.056
local terms energy: -42.467444
where:
bonds (distance) C4'-P energy: -0.889
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -72.391605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.391605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.391605 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -19.581
Base-Backbone interact. energy: -0.231
local terms energy: -36.969994
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: 1.695
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: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -178.347489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.347489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.347489 (E_RNA)
where:
Base-Base interactions energy: -117.718
where: short stacking energy: -49.952
Base-Backbone interact. energy: -1.209
local terms energy: -59.420881
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -12.906
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: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -177.240376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.240376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.240376 (E_RNA)
where:
Base-Base interactions energy: -113.453
where: short stacking energy: -54.908
Base-Backbone interact. energy: -0.197
local terms energy: -63.590721
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -13.677
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: 299
Temperature: 1.000000
Total energy: -167.493519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493519 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -40.428
Base-Backbone interact. energy: -0.632
local terms energy: -64.692463
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -8.301
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -149.458662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.458662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.458662 (E_RNA)
where:
Base-Base interactions energy: -88.527
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.036
local terms energy: -60.896552
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -98.100176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.100176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.100176 (E_RNA)
where:
Base-Base interactions energy: -44.853
where: short stacking energy: -44.853
Base-Backbone interact. energy: -0.076
local terms energy: -53.170193
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -136.388227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.388227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.388227 (E_RNA)
where:
Base-Base interactions energy: -84.333
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.136
local terms energy: -51.918830
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -6.849
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -83.447877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.447877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.447877 (E_RNA)
where:
Base-Base interactions energy: -34.573
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.002
local terms energy: -48.872950
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -79.318523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.318523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.318523 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -14.112
Base-Backbone interact. energy: -0.002
local terms energy: -53.971435
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -9.955
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: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -86.714497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.714497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.714497 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.041
local terms energy: -46.163237
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -71.894137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.894137 (E_RNA)
where:
Base-Base interactions energy: -31.386
where: short stacking energy: -24.560
Base-Backbone interact. energy: -0.061
local terms energy: -40.447207
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -175.094608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.094608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.094608 (E_RNA)
where:
Base-Base interactions energy: -100.258
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.400
local terms energy: -74.436920
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -175.742191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.742191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.742191 (E_RNA)
where:
Base-Base interactions energy: -107.864
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.864
local terms energy: -67.014760
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -163.295325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.295325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.295325 (E_RNA)
where:
Base-Base interactions energy: -96.723
where: short stacking energy: -41.265
Base-Backbone interact. energy: -0.731
local terms energy: -65.841402
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.624
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: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -151.704883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.704883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.704883 (E_RNA)
where:
Base-Base interactions energy: -94.968
where: short stacking energy: -32.006
Base-Backbone interact. energy: -0.177
local terms energy: -56.560167
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -154.762603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.762603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.762603 (E_RNA)
where:
Base-Base interactions energy: -99.883
where: short stacking energy: -50.861
Base-Backbone interact. energy: -0.547
local terms energy: -54.331993
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -13.411
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: 300
Temperature: 1.150000
Total energy: -90.507256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.507256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.507256 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.963
local terms energy: -55.827882
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -84.972318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.972318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.972318 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -18.765
Base-Backbone interact. energy: -0.047
local terms energy: -50.557293
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.812
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -69.777291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.777291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.777291 (E_RNA)
where:
Base-Base interactions energy: -20.231
where: short stacking energy: -19.248
Base-Backbone interact. energy: -0.115
local terms energy: -49.431139
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -72.377536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.377536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.377536 (E_RNA)
where:
Base-Base interactions energy: -24.301
where: short stacking energy: -24.301
Base-Backbone interact. energy: 0.560
local terms energy: -48.637212
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -71.637976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.637976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.637976 (E_RNA)
where:
Base-Base interactions energy: -26.893
where: short stacking energy: -26.893
Base-Backbone interact. energy: 0.151
local terms energy: -44.895971
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -1.523
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -185.973016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.973016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.973016 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.750
local terms energy: -60.011497
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -172.818290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.818290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.818290 (E_RNA)
where:
Base-Base interactions energy: -102.412
where: short stacking energy: -47.568
Base-Backbone interact. energy: -0.231
local terms energy: -70.175934
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -9.888
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: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -170.787075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.787075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.787075 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.883
local terms energy: -58.271903
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -9.594
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: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -159.717035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.717035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717035 (E_RNA)
where:
Base-Base interactions energy: -95.433
where: short stacking energy: -46.815
Base-Backbone interact. energy: -0.021
local terms energy: -64.262743
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -14.199
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: 301
Temperature: 1.100000
Total energy: -146.027154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.027154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.027154 (E_RNA)
where:
Base-Base interactions energy: -83.340
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.109
local terms energy: -62.577782
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.930
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: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -88.441298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.441298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.441298 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.012
local terms energy: -52.117352
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -6.129
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: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -91.851905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.851905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.851905 (E_RNA)
where:
Base-Base interactions energy: -37.867
where: short stacking energy: -37.867
Base-Backbone interact. energy: -0.120
local terms energy: -53.865176
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -79.631313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.631313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.631313 (E_RNA)
where:
Base-Base interactions energy: -27.256
where: short stacking energy: -27.256
Base-Backbone interact. energy: -0.123
local terms energy: -52.252458
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -80.536999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.536999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.536999 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -20.668
Base-Backbone interact. energy: -0.130
local terms energy: -43.848948
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -76.166756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.166756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.166756 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -23.858
Base-Backbone interact. energy: -0.423
local terms energy: -42.511767
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -177.513024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.513024 (E_RNA)
where:
Base-Base interactions energy: -115.962
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.432
local terms energy: -61.118900
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -170.041808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.041808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.041808 (E_RNA)
where:
Base-Base interactions energy: -115.112
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.872
local terms energy: -54.058327
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -4.852
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: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -167.287922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.287922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.287922 (E_RNA)
where:
Base-Base interactions energy: -104.919
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.112
local terms energy: -62.257032
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -163.545644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.545644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.545644 (E_RNA)
where:
Base-Base interactions energy: -102.838
where: short stacking energy: -49.646
Base-Backbone interact. energy: -0.403
local terms energy: -60.304389
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -134.973319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973319 (E_RNA)
where:
Base-Base interactions energy: -99.264
where: short stacking energy: -23.833
Base-Backbone interact. energy: -0.734
local terms energy: -34.975681
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -7.431
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -109.381334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381334 (E_RNA)
where:
Base-Base interactions energy: -66.488
where: short stacking energy: -28.036
Base-Backbone interact. energy: -0.189
local terms energy: -42.704275
where:
bonds (distance) C4'-P energy: -5.590
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -83.656377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.656377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.656377 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -30.042
Base-Backbone interact. energy: -0.012
local terms energy: -53.603064
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -6.573
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: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -76.824799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824799 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -22.970
Base-Backbone interact. energy: -0.225
local terms energy: -40.748601
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -78.939878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.939878 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -18.258
Base-Backbone interact. energy: -0.799
local terms energy: -43.742348
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -65.503765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.503765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.503765 (E_RNA)
where:
Base-Base interactions energy: -20.667
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.120
local terms energy: -44.716853
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -8.730
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -172.195405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.195405 (E_RNA)
where:
Base-Base interactions energy: -108.068
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.168
local terms energy: -63.959591
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -177.293721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.293721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.293721 (E_RNA)
where:
Base-Base interactions energy: -114.368
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.412
local terms energy: -62.513805
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -12.323
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: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -178.598013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.598013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.598013 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -50.771
Base-Backbone interact. energy: -0.284
local terms energy: -62.090595
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -161.013677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.013677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.013677 (E_RNA)
where:
Base-Base interactions energy: -99.378
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.025
local terms energy: -61.610867
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -131.397915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.397915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.397915 (E_RNA)
where:
Base-Base interactions energy: -80.222
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.556
local terms energy: -50.619644
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -12.544
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: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -89.121779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.121779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.121779 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.661
local terms energy: -59.900088
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -93.486438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486438 (E_RNA)
where:
Base-Base interactions energy: -44.016
where: short stacking energy: -26.770
Base-Backbone interact. energy: 0.018
local terms energy: -49.488083
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.063
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: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -79.239291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.239291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.239291 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.202
local terms energy: -44.173723
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -6.957
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -70.650956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.650956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.650956 (E_RNA)
where:
Base-Base interactions energy: -29.567
where: short stacking energy: -23.937
Base-Backbone interact. energy: -0.234
local terms energy: -40.850118
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: 2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -73.995345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995345 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -16.996
Base-Backbone interact. energy: -0.359
local terms energy: -42.658897
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -175.525929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.525929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.525929 (E_RNA)
where:
Base-Base interactions energy: -109.574
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.094
local terms energy: -65.858261
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -13.649
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: 304
Temperature: 0.950000
Total energy: -169.809738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.809738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.809738 (E_RNA)
where:
Base-Base interactions energy: -99.418
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.508
local terms energy: -69.883476
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -174.279594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.279594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.279594 (E_RNA)
where:
Base-Base interactions energy: -112.694
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.001
local terms energy: -61.584111
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -18.755
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: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -168.532377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.532377 (E_RNA)
where:
Base-Base interactions energy: -104.109
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.638
local terms energy: -63.785729
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -96.158231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158231 (E_RNA)
where:
Base-Base interactions energy: -39.927
where: short stacking energy: -34.658
Base-Backbone interact. energy: -0.030
local terms energy: -56.201202
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -7.913
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -82.431945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.431945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.431945 (E_RNA)
where:
Base-Base interactions energy: -35.450
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.641
local terms energy: -46.341020
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -93.080917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.080917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.080917 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.188
local terms energy: -59.386785
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -77.942146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.942146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.942146 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.055
local terms energy: -46.137569
where:
bonds (distance) C4'-P energy: -5.825
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -73.147215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.147215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.147215 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.238
local terms energy: -42.471025
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: 2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -72.233149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233149 (E_RNA)
where:
Base-Base interactions energy: -28.492
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.201
local terms energy: -43.539816
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -4.390
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -173.711795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.711795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.711795 (E_RNA)
where:
Base-Base interactions energy: -109.712
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.005
local terms energy: -63.994494
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -170.015483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.015483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.015483 (E_RNA)
where:
Base-Base interactions energy: -105.955
where: short stacking energy: -47.367
Base-Backbone interact. energy: -0.283
local terms energy: -63.777462
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -165.982143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.982143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.982143 (E_RNA)
where:
Base-Base interactions energy: -99.962
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.000
local terms energy: -66.019450
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -99.665264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.665264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.665264 (E_RNA)
where:
Base-Base interactions energy: -44.842
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.243
local terms energy: -54.580060
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -146.098030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.098030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.098030 (E_RNA)
where:
Base-Base interactions energy: -85.845
where: short stacking energy: -42.483
Base-Backbone interact. energy: -0.599
local terms energy: -59.654114
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -85.309707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.309707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.309707 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.156
local terms energy: -47.235867
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -78.751885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.751885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.751885 (E_RNA)
where:
Base-Base interactions energy: -26.494
where: short stacking energy: -24.041
Base-Backbone interact. energy: -0.793
local terms energy: -51.464166
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -88.162106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162106 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -28.870
Base-Backbone interact. energy: 0.097
local terms energy: -50.278975
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -70.098454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.098454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.098454 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.469
local terms energy: -34.706800
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -65.201073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.201073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.201073 (E_RNA)
where:
Base-Base interactions energy: -27.482
where: short stacking energy: -20.788
Base-Backbone interact. energy: 0.428
local terms energy: -38.146440
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -7.136
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: 1.302
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: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -181.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.846735 (E_RNA)
where:
Base-Base interactions energy: -121.683
where: short stacking energy: -50.670
Base-Backbone interact. energy: -1.050
local terms energy: -59.113914
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -168.128513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.128513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.128513 (E_RNA)
where:
Base-Base interactions energy: -109.400
where: short stacking energy: -41.872
Base-Backbone interact. energy: -0.263
local terms energy: -58.465394
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -8.908
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: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -176.939715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.939715 (E_RNA)
where:
Base-Base interactions energy: -107.352
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.084
local terms energy: -69.503831
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -109.802087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.802087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.802087 (E_RNA)
where:
Base-Base interactions energy: -47.650
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.013
local terms energy: -62.139099
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -153.964108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.964108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.964108 (E_RNA)
where:
Base-Base interactions energy: -88.803
where: short stacking energy: -47.144
Base-Backbone interact. energy: -0.097
local terms energy: -65.064227
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -109.521543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.521543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.521543 (E_RNA)
where:
Base-Base interactions energy: -57.241
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.085
local terms energy: -52.195147
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -4.332
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -85.024414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.024414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.024414 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.201
local terms energy: -54.296453
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -5.316
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: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -75.961746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.961746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.961746 (E_RNA)
where:
Base-Base interactions energy: -28.918
where: short stacking energy: -28.918
Base-Backbone interact. energy: -0.067
local terms energy: -46.976287
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -94.079392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.079392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.079392 (E_RNA)
where:
Base-Base interactions energy: -47.602
where: short stacking energy: -23.875
Base-Backbone interact. energy: -0.031
local terms energy: -46.446472
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -4.549
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -74.347372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.347372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.347372 (E_RNA)
where:
Base-Base interactions energy: -35.241
where: short stacking energy: -18.636
Base-Backbone interact. energy: -0.219
local terms energy: -38.887773
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -5.677
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -169.617112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.617112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.617112 (E_RNA)
where:
Base-Base interactions energy: -104.981
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.887
local terms energy: -63.749205
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -163.052415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.052415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.052415 (E_RNA)
where:
Base-Base interactions energy: -106.216
where: short stacking energy: -46.094
Base-Backbone interact. energy: -0.049
local terms energy: -56.787649
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -12.478
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: 307
Temperature: 1.000000
Total energy: -169.878850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.878850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.878850 (E_RNA)
where:
Base-Base interactions energy: -111.790
where: short stacking energy: -48.839
Base-Backbone interact. energy: -0.667
local terms energy: -57.422355
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -167.882460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.882460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.882460 (E_RNA)
where:
Base-Base interactions energy: -101.785
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.099
local terms energy: -65.998732
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -13.595
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -94.721387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721387 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.173
local terms energy: -61.102290
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -137.574484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.574484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.574484 (E_RNA)
where:
Base-Base interactions energy: -80.947
where: short stacking energy: -44.643
Base-Backbone interact. energy: -0.098
local terms energy: -56.529505
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -84.675924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675924 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.798
local terms energy: -44.340375
where:
bonds (distance) C4'-P energy: -6.629
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -84.299363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299363 (E_RNA)
where:
Base-Base interactions energy: -37.256
where: short stacking energy: -37.181
Base-Backbone interact. energy: -0.062
local terms energy: -46.981290
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -78.245839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.245839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.245839 (E_RNA)
where:
Base-Base interactions energy: -28.491
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.060
local terms energy: -49.695399
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -5.882
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: 307
Temperature: 1.350000
Total energy: -80.984297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.984297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.984297 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.264
local terms energy: -44.110564
where:
bonds (distance) C4'-P energy: -6.774
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -167.764379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764379 (E_RNA)
where:
Base-Base interactions energy: -108.238
where: short stacking energy: -49.428
Base-Backbone interact. energy: -0.254
local terms energy: -59.271996
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -176.154945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.154945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.154945 (E_RNA)
where:
Base-Base interactions energy: -112.125
where: short stacking energy: -45.265
Base-Backbone interact. energy: -1.593
local terms energy: -62.436806
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -12.348
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -167.255116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.255116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.255116 (E_RNA)
where:
Base-Base interactions energy: -107.116
where: short stacking energy: -55.325
Base-Backbone interact. energy: -0.250
local terms energy: -59.889297
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -163.730486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.730486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.730486 (E_RNA)
where:
Base-Base interactions energy: -104.596
where: short stacking energy: -47.748
Base-Backbone interact. energy: -0.169
local terms energy: -58.965432
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -146.436238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.436238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.436238 (E_RNA)
where:
Base-Base interactions energy: -85.916
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.000
local terms energy: -60.519577
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -12.039
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -86.886135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.886135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.886135 (E_RNA)
where:
Base-Base interactions energy: -33.163
where: short stacking energy: -22.340
Base-Backbone interact. energy: -0.033
local terms energy: -53.690101
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -7.461
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: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -93.055819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.055819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.055819 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -36.291
Base-Backbone interact. energy: -0.002
local terms energy: -55.641070
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -10.589
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: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -78.455287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.455287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.455287 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.059
local terms energy: -50.218684
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -98.710807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.710807 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.069
local terms energy: -54.133597
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -70.292349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.292349 (E_RNA)
where:
Base-Base interactions energy: -30.294
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.314
local terms energy: -39.684277
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: 0.032
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -176.484118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.484118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.484118 (E_RNA)
where:
Base-Base interactions energy: -110.094
where: short stacking energy: -56.385
Base-Backbone interact. energy: -0.796
local terms energy: -65.594300
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -18.866
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: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -181.219484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.219484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.219484 (E_RNA)
where:
Base-Base interactions energy: -109.145
where: short stacking energy: -49.786
Base-Backbone interact. energy: -1.803
local terms energy: -70.271900
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -172.742792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.742792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.742792 (E_RNA)
where:
Base-Base interactions energy: -102.448
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.320
local terms energy: -69.975205
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -18.602
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -146.359878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.359878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.359878 (E_RNA)
where:
Base-Base interactions energy: -97.790
where: short stacking energy: -45.608
Base-Backbone interact. energy: -1.391
local terms energy: -47.178672
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -117.058939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.058939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.058939 (E_RNA)
where:
Base-Base interactions energy: -65.515
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.014
local terms energy: -51.529511
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -84.971230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.971230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.971230 (E_RNA)
where:
Base-Base interactions energy: -34.435
where: short stacking energy: -29.335
Base-Backbone interact. energy: 1.198
local terms energy: -51.734364
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -94.274442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274442 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -31.550
Base-Backbone interact. energy: -0.001
local terms energy: -53.770816
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -76.533349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.533349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.533349 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.164
local terms energy: -44.026115
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: 1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -71.876877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.876877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.876877 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -30.653
Base-Backbone interact. energy: 0.065
local terms energy: -41.289223
where:
bonds (distance) C4'-P energy: -6.152
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -5.621
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: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -88.329236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.329236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.329236 (E_RNA)
where:
Base-Base interactions energy: -44.604
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.043
local terms energy: -43.682777
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -184.932609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.932609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.932609 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.018
local terms energy: -69.132337
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -177.021884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.021884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.021884 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.164
local terms energy: -62.024762
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -168.829427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.829427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.829427 (E_RNA)
where:
Base-Base interactions energy: -116.514
where: short stacking energy: -43.356
Base-Backbone interact. energy: -1.019
local terms energy: -51.296106
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -166.440955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.440955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.440955 (E_RNA)
where:
Base-Base interactions energy: -102.280
where: short stacking energy: -49.848
Base-Backbone interact. energy: -0.946
local terms energy: -63.214802
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -93.548021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548021 (E_RNA)
where:
Base-Base interactions energy: -44.905
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.152
local terms energy: -48.490923
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.478
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -104.534909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.534909 (E_RNA)
where:
Base-Base interactions energy: -47.971
where: short stacking energy: -27.421
Base-Backbone interact. energy: -0.059
local terms energy: -56.504664
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -84.393878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393878 (E_RNA)
where:
Base-Base interactions energy: -39.283
where: short stacking energy: -24.212
Base-Backbone interact. energy: -1.668
local terms energy: -43.442719
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -80.166973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166973 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -26.602
Base-Backbone interact. energy: -0.091
local terms energy: -43.889529
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.534
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: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -74.904194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.904194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.904194 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.765
local terms energy: -39.364175
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -63.703717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.703717 (E_RNA)
where:
Base-Base interactions energy: -18.747
where: short stacking energy: -18.747
Base-Backbone interact. energy: -0.163
local terms energy: -44.793786
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -189.075296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.075296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.075296 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.772
local terms energy: -69.761911
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.887
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: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -187.685800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.685800 (E_RNA)
where:
Base-Base interactions energy: -121.005
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.225
local terms energy: -66.455622
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -183.534496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.534496 (E_RNA)
where:
Base-Base interactions energy: -125.402
where: short stacking energy: -47.757
Base-Backbone interact. energy: 0.254
local terms energy: -58.386400
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.523
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: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -161.533993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.533993 (E_RNA)
where:
Base-Base interactions energy: -102.554
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.020
local terms energy: -58.959903
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.914
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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -94.977354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.977354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.977354 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.004
local terms energy: -55.353750
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -93.175527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.175527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.175527 (E_RNA)
where:
Base-Base interactions energy: -38.921
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.033
local terms energy: -54.221505
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -84.086002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.086002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.086002 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -24.451
Base-Backbone interact. energy: 0.206
local terms energy: -43.117217
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -2.336
tors. eta vs tors. theta energy: -0.124
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: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -76.839479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.839479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.839479 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.863
local terms energy: -44.968247
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -9.792
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: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -76.894295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.894295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.894295 (E_RNA)
where:
Base-Base interactions energy: -27.779
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.105
local terms energy: -49.010531
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -7.884
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: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -72.047081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.047081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.047081 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -21.022
Base-Backbone interact. energy: -0.492
local terms energy: -45.173633
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -181.640892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.640892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.640892 (E_RNA)
where:
Base-Base interactions energy: -120.184
where: short stacking energy: -47.818
Base-Backbone interact. energy: -1.058
local terms energy: -60.398464
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -184.957873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.957873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.957873 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.691
local terms energy: -66.100321
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -181.042338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.042338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.042338 (E_RNA)
where:
Base-Base interactions energy: -118.108
where: short stacking energy: -51.762
Base-Backbone interact. energy: -1.202
local terms energy: -61.731719
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -150.164304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.164304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.164304 (E_RNA)
where:
Base-Base interactions energy: -98.120
where: short stacking energy: -35.595
Base-Backbone interact. energy: 0.122
local terms energy: -52.166517
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.087
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: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -120.138892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.138892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.138892 (E_RNA)
where:
Base-Base interactions energy: -69.837
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.421
local terms energy: -49.880676
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -88.043381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.043381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.043381 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.116
local terms energy: -50.887226
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -100.544188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.544188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.544188 (E_RNA)
where:
Base-Base interactions energy: -53.244
where: short stacking energy: -27.264
Base-Backbone interact. energy: -0.291
local terms energy: -47.009254
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -80.417342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417342 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -25.245
Base-Backbone interact. energy: -0.047
local terms energy: -45.214342
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -92.747607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.747607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.747607 (E_RNA)
where:
Base-Base interactions energy: -42.877
where: short stacking energy: -23.780
Base-Backbone interact. energy: -0.150
local terms energy: -49.720898
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -67.664025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.664025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.664025 (E_RNA)
where:
Base-Base interactions energy: -25.071
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.199
local terms energy: -42.393981
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -186.324477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.324477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.324477 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -44.232
Base-Backbone interact. energy: -0.905
local terms energy: -60.757232
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -13.228
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: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -180.920410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.920410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.920410 (E_RNA)
where:
Base-Base interactions energy: -115.401
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.700
local terms energy: -64.819318
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -167.331494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.331494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.331494 (E_RNA)
where:
Base-Base interactions energy: -108.926
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.148
local terms energy: -58.257648
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -123.535058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.535058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.535058 (E_RNA)
where:
Base-Base interactions energy: -75.110
where: short stacking energy: -37.705
Base-Backbone interact. energy: 0.404
local terms energy: -48.829675
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -7.700
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: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -142.674188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.674188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.674188 (E_RNA)
where:
Base-Base interactions energy: -86.366
where: short stacking energy: -43.583
Base-Backbone interact. energy: -1.260
local terms energy: -55.048603
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -124.184060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.184060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.184060 (E_RNA)
where:
Base-Base interactions energy: -71.111
where: short stacking energy: -47.391
Base-Backbone interact. energy: -0.186
local terms energy: -52.886894
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -82.079387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.079387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.079387 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.176
local terms energy: -46.797721
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -6.588
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -89.813735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813735 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -31.532
Base-Backbone interact. energy: -0.007
local terms energy: -58.274573
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -131.293149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.293149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.293149 (E_RNA)
where:
Base-Base interactions energy: -72.557
where: short stacking energy: -38.356
Base-Backbone interact. energy: -0.144
local terms energy: -58.592118
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -71.970265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.970265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.970265 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.047
local terms energy: -41.034825
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -183.699009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.699009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.699009 (E_RNA)
where:
Base-Base interactions energy: -116.927
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.679
local terms energy: -66.092260
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -185.916029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.916029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.916029 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.729
local terms energy: -67.382213
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -161.190880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.190880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.190880 (E_RNA)
where:
Base-Base interactions energy: -96.287
where: short stacking energy: -50.862
Base-Backbone interact. energy: -0.285
local terms energy: -64.619172
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -137.725588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.725588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.725588 (E_RNA)
where:
Base-Base interactions energy: -88.088
where: short stacking energy: -33.312
Base-Backbone interact. energy: 1.180
local terms energy: -50.817323
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -125.888142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.888142 (E_RNA)
where:
Base-Base interactions energy: -76.952
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.056
local terms energy: -48.880020
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -154.678147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.678147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.678147 (E_RNA)
where:
Base-Base interactions energy: -96.922
where: short stacking energy: -48.414
Base-Backbone interact. energy: -1.283
local terms energy: -56.473553
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -6.715
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -76.710871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.710871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.710871 (E_RNA)
where:
Base-Base interactions energy: -32.887
where: short stacking energy: -24.749
Base-Backbone interact. energy: 2.221
local terms energy: -46.044984
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -81.250217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.250217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.250217 (E_RNA)
where:
Base-Base interactions energy: -31.956
where: short stacking energy: -20.092
Base-Backbone interact. energy: -0.314
local terms energy: -48.980782
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -85.053012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.053012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.053012 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -31.664
Base-Backbone interact. energy: 0.219
local terms energy: -48.626142
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -2.125
flat angles P-C4'-P energy: -8.698
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: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -93.411111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.411111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.411111 (E_RNA)
where:
Base-Base interactions energy: -50.250
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.753
local terms energy: -42.407507
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -180.064022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.064022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.064022 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.010
local terms energy: -64.470164
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -168.139044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.139044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.139044 (E_RNA)
where:
Base-Base interactions energy: -102.241
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.351
local terms energy: -65.547087
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.357
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: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -169.586700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.586700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.586700 (E_RNA)
where:
Base-Base interactions energy: -105.330
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.659
local terms energy: -63.598122
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -148.082003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.082003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.082003 (E_RNA)
where:
Base-Base interactions energy: -95.968
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.036
local terms energy: -52.077941
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -130.428235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.428235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.428235 (E_RNA)
where:
Base-Base interactions energy: -82.529
where: short stacking energy: -43.893
Base-Backbone interact. energy: -0.118
local terms energy: -47.782172
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -144.009851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.009851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.009851 (E_RNA)
where:
Base-Base interactions energy: -93.295
where: short stacking energy: -38.478
Base-Backbone interact. energy: -1.904
local terms energy: -48.810825
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -9.370
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -80.902094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.902094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.902094 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -23.597
Base-Backbone interact. energy: -0.158
local terms energy: -43.988896
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: 2.672
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -100.981359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.981359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.981359 (E_RNA)
where:
Base-Base interactions energy: -52.767
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.770
local terms energy: -47.443731
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -75.858867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858867 (E_RNA)
where:
Base-Base interactions energy: -28.996
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.208
local terms energy: -46.655117
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -70.370762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.370762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.370762 (E_RNA)
where:
Base-Base interactions energy: -20.553
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.188
local terms energy: -49.628958
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -180.297732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.297732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.297732 (E_RNA)
where:
Base-Base interactions energy: -109.501
where: short stacking energy: -61.403
Base-Backbone interact. energy: 0.869
local terms energy: -71.665708
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -184.748262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.748262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.748262 (E_RNA)
where:
Base-Base interactions energy: -117.595
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.472
local terms energy: -66.681277
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -186.631037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.631037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.631037 (E_RNA)
where:
Base-Base interactions energy: -115.498
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.280
local terms energy: -70.852651
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -147.454816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.454816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.454816 (E_RNA)
where:
Base-Base interactions energy: -96.135
where: short stacking energy: -42.356
Base-Backbone interact. energy: -0.160
local terms energy: -51.160088
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -154.843313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.843313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.843313 (E_RNA)
where:
Base-Base interactions energy: -96.640
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.086
local terms energy: -58.117794
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -129.460622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.460622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.460622 (E_RNA)
where:
Base-Base interactions energy: -78.988
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.339
local terms energy: -50.133198
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -4.974
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: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -94.259283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259283 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.582
local terms energy: -53.790967
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -5.696
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: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -82.831121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831121 (E_RNA)
where:
Base-Base interactions energy: -40.715
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.124
local terms energy: -41.992134
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -78.077930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.077930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.077930 (E_RNA)
where:
Base-Base interactions energy: -37.969
where: short stacking energy: -14.492
Base-Backbone interact. energy: -0.594
local terms energy: -39.514964
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -71.802666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.802666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.802666 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.079
local terms energy: -42.827504
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -175.162326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.162326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.162326 (E_RNA)
where:
Base-Base interactions energy: -110.928
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.770
local terms energy: -63.464495
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -167.958702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.958702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.958702 (E_RNA)
where:
Base-Base interactions energy: -106.689
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.055
local terms energy: -61.214869
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -12.732
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: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -167.163900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.163900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.163900 (E_RNA)
where:
Base-Base interactions energy: -104.884
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.038
local terms energy: -62.242025
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -160.117878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.117878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.117878 (E_RNA)
where:
Base-Base interactions energy: -96.876
where: short stacking energy: -45.270
Base-Backbone interact. energy: -0.579
local terms energy: -62.662823
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -134.024381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.024381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.024381 (E_RNA)
where:
Base-Base interactions energy: -75.522
where: short stacking energy: -44.626
Base-Backbone interact. energy: 0.775
local terms energy: -59.277829
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -136.184179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.184179 (E_RNA)
where:
Base-Base interactions energy: -84.696
where: short stacking energy: -41.248
Base-Backbone interact. energy: -0.008
local terms energy: -51.480852
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -81.426654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.426654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.426654 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -22.620
Base-Backbone interact. energy: -0.222
local terms energy: -46.975161
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -9.911
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: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -75.760397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.760397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.760397 (E_RNA)
where:
Base-Base interactions energy: -25.658
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.136
local terms energy: -49.966273
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -8.974
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: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -83.933672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.933672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.933672 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -33.337
Base-Backbone interact. energy: 0.398
local terms energy: -49.540721
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -1.318
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -100.506964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.506964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.506964 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -30.008
Base-Backbone interact. energy: 0.831
local terms energy: -48.509480
where:
bonds (distance) C4'-P energy: -5.888
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -9.594
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -186.215847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215847 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.416
local terms energy: -62.772815
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -166.013440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.013440 (E_RNA)
where:
Base-Base interactions energy: -102.535
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.147
local terms energy: -63.331182
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -167.652317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.652317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.652317 (E_RNA)
where:
Base-Base interactions energy: -108.820
where: short stacking energy: -60.672
Base-Backbone interact. energy: 0.523
local terms energy: -59.355425
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -13.529
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: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -162.740799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.740799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.740799 (E_RNA)
where:
Base-Base interactions energy: -100.371
where: short stacking energy: -46.778
Base-Backbone interact. energy: -1.015
local terms energy: -61.354941
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -7.207
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -138.091014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.091014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.091014 (E_RNA)
where:
Base-Base interactions energy: -89.474
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.429
local terms energy: -48.187599
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -4.622
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -7.005
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: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -139.473489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.473489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.473489 (E_RNA)
where:
Base-Base interactions energy: -81.564
where: short stacking energy: -48.442
Base-Backbone interact. energy: -0.199
local terms energy: -57.710573
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -76.961844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.961844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.961844 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -26.516
Base-Backbone interact. energy: -0.042
local terms energy: -46.313673
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -70.609973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.609973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.609973 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -19.297
Base-Backbone interact. energy: -0.401
local terms energy: -43.433141
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 1.855
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: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -72.735629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.735629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.735629 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.150
local terms energy: -47.575005
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -70.615394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.615394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.615394 (E_RNA)
where:
Base-Base interactions energy: -27.182
where: short stacking energy: -23.400
Base-Backbone interact. energy: -0.041
local terms energy: -43.392776
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: 4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -177.381509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.381509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.381509 (E_RNA)
where:
Base-Base interactions energy: -113.066
where: short stacking energy: -60.978
Base-Backbone interact. energy: 1.607
local terms energy: -65.922059
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.545
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: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -179.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.901663 (E_RNA)
where:
Base-Base interactions energy: -105.241
where: short stacking energy: -56.657
Base-Backbone interact. energy: -1.440
local terms energy: -73.220939
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.776
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: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -166.671418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.671418 (E_RNA)
where:
Base-Base interactions energy: -107.126
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.605
local terms energy: -58.940017
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -157.786583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.786583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.786583 (E_RNA)
where:
Base-Base interactions energy: -94.654
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.001
local terms energy: -63.131928
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -156.405442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.405442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.405442 (E_RNA)
where:
Base-Base interactions energy: -93.770
where: short stacking energy: -46.506
Base-Backbone interact. energy: -0.862
local terms energy: -61.773479
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.869
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: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -138.531218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.531218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.531218 (E_RNA)
where:
Base-Base interactions energy: -78.188
where: short stacking energy: -38.818
Base-Backbone interact. energy: 0.045
local terms energy: -60.388609
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.356
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: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -75.389943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.389943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.389943 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -19.695
Base-Backbone interact. energy: -0.536
local terms energy: -47.541086
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -10.096
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: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -79.967347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.967347 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -32.547
Base-Backbone interact. energy: -0.162
local terms energy: -43.616674
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -92.483897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.483897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.483897 (E_RNA)
where:
Base-Base interactions energy: -44.710
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.174
local terms energy: -47.599393
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -68.963533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.963533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.963533 (E_RNA)
where:
Base-Base interactions energy: -17.086
where: short stacking energy: -17.086
Base-Backbone interact. energy: -0.512
local terms energy: -51.365769
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -5.506
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: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -177.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.255886 (E_RNA)
where:
Base-Base interactions energy: -109.718
where: short stacking energy: -52.291
Base-Backbone interact. energy: -0.745
local terms energy: -66.792479
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -174.302168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.302168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.302168 (E_RNA)
where:
Base-Base interactions energy: -111.539
where: short stacking energy: -39.347
Base-Backbone interact. energy: -0.699
local terms energy: -62.063920
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -7.786
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: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -164.759079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.759079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.759079 (E_RNA)
where:
Base-Base interactions energy: -107.539
where: short stacking energy: -42.033
Base-Backbone interact. energy: -0.034
local terms energy: -57.185903
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -164.842339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.842339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.842339 (E_RNA)
where:
Base-Base interactions energy: -100.446
where: short stacking energy: -48.181
Base-Backbone interact. energy: -0.083
local terms energy: -64.313016
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -161.438151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.438151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.438151 (E_RNA)
where:
Base-Base interactions energy: -103.003
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.024
local terms energy: -58.410674
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -13.487
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: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -118.018871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018871 (E_RNA)
where:
Base-Base interactions energy: -67.445
where: short stacking energy: -37.453
Base-Backbone interact. energy: 0.190
local terms energy: -50.764281
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -6.520
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: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -89.428675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428675 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.054
local terms energy: -55.073173
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -74.943345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943345 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -25.462
Base-Backbone interact. energy: -0.183
local terms energy: -46.398404
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.555
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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -77.384899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.384899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.384899 (E_RNA)
where:
Base-Base interactions energy: -32.130
where: short stacking energy: -20.933
Base-Backbone interact. energy: -0.215
local terms energy: -45.038978
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -74.877951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.877951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.877951 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.976
local terms energy: -42.797583
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.871
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -182.347831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.347831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.347831 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -63.573
Base-Backbone interact. energy: -0.416
local terms energy: -64.000891
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -5.306
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: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -175.502053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.502053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.502053 (E_RNA)
where:
Base-Base interactions energy: -117.979
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.012
local terms energy: -57.510937
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -166.308089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.308089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.308089 (E_RNA)
where:
Base-Base interactions energy: -107.235
where: short stacking energy: -50.560
Base-Backbone interact. energy: -0.399
local terms energy: -58.674390
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -169.994385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.994385 (E_RNA)
where:
Base-Base interactions energy: -108.270
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.004
local terms energy: -61.720578
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -153.637959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.637959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.637959 (E_RNA)
where:
Base-Base interactions energy: -90.530
where: short stacking energy: -51.254
Base-Backbone interact. energy: 1.048
local terms energy: -64.155809
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -110.893531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.893531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.893531 (E_RNA)
where:
Base-Base interactions energy: -54.967
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.022
local terms energy: -55.904950
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.248
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: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -138.419905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.419905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.419905 (E_RNA)
where:
Base-Base interactions energy: -91.949
where: short stacking energy: -42.241
Base-Backbone interact. energy: -0.942
local terms energy: -45.529011
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -79.690667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.690667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.690667 (E_RNA)
where:
Base-Base interactions energy: -34.648
where: short stacking energy: -21.307
Base-Backbone interact. energy: -0.076
local terms energy: -44.966712
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -71.767876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.767876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.767876 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -11.872
Base-Backbone interact. energy: -0.325
local terms energy: -43.786675
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -0.546
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: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -67.219026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.219026 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -18.490
Base-Backbone interact. energy: -0.344
local terms energy: -39.474178
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: 2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -174.255197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.255197 (E_RNA)
where:
Base-Base interactions energy: -109.970
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.001
local terms energy: -64.284808
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -175.954810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.954810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.954810 (E_RNA)
where:
Base-Base interactions energy: -107.259
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.414
local terms energy: -68.282399
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.546
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: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -178.523455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.523455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.523455 (E_RNA)
where:
Base-Base interactions energy: -112.988
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.003
local terms energy: -65.532315
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -169.902250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.902250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.902250 (E_RNA)
where:
Base-Base interactions energy: -105.925
where: short stacking energy: -55.074
Base-Backbone interact. energy: 1.033
local terms energy: -65.010832
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -141.880312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.880312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.880312 (E_RNA)
where:
Base-Base interactions energy: -88.022
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.001
local terms energy: -53.857015
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -10.513
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: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -106.100367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.100367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.100367 (E_RNA)
where:
Base-Base interactions energy: -57.090
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.389
local terms energy: -48.621387
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -141.181235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.181235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.181235 (E_RNA)
where:
Base-Base interactions energy: -88.246
where: short stacking energy: -35.887
Base-Backbone interact. energy: 0.167
local terms energy: -53.102853
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -7.424
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -81.515735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.515735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.515735 (E_RNA)
where:
Base-Base interactions energy: -29.679
where: short stacking energy: -28.972
Base-Backbone interact. energy: -1.024
local terms energy: -50.812882
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -71.325899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.325899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.325899 (E_RNA)
where:
Base-Base interactions energy: -24.308
where: short stacking energy: -17.388
Base-Backbone interact. energy: -0.522
local terms energy: -46.496005
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -4.507
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -63.038459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.038459 (E_RNA)
where:
Base-Base interactions energy: -23.568
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.102
local terms energy: -39.367844
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -184.901833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.901833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.901833 (E_RNA)
where:
Base-Base interactions energy: -114.802
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.326
local terms energy: -69.773938
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -182.099898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.099898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.099898 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.576
local terms energy: -68.550499
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -173.278607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278607 (E_RNA)
where:
Base-Base interactions energy: -106.599
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.535
local terms energy: -66.144905
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -176.587734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.587734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.587734 (E_RNA)
where:
Base-Base interactions energy: -116.662
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.355
local terms energy: -59.570407
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -146.615113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.615113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.615113 (E_RNA)
where:
Base-Base interactions energy: -92.472
where: short stacking energy: -42.924
Base-Backbone interact. energy: -0.198
local terms energy: -53.945093
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -150.410448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.410448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.410448 (E_RNA)
where:
Base-Base interactions energy: -86.222
where: short stacking energy: -42.459
Base-Backbone interact. energy: -0.106
local terms energy: -64.082558
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -81.191741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.191741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.191741 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.163
local terms energy: -50.191634
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -79.283102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.283102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.283102 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.120
local terms energy: -48.319648
where:
bonds (distance) C4'-P energy: -7.314
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -74.313164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.313164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.313164 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.013
local terms energy: -45.169683
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -0.645
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: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -73.677692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677692 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -21.419
Base-Backbone interact. energy: 0.485
local terms energy: -41.332477
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -189.811911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.811911 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.660
local terms energy: -66.780447
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -169.940459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.940459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.940459 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.109
local terms energy: -56.295555
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -174.581591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.581591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.581591 (E_RNA)
where:
Base-Base interactions energy: -107.557
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.778
local terms energy: -66.246458
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -15.494
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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -176.898267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898267 (E_RNA)
where:
Base-Base interactions energy: -108.113
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.178
local terms energy: -68.607064
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -149.904893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.904893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.904893 (E_RNA)
where:
Base-Base interactions energy: -86.677
where: short stacking energy: -49.448
Base-Backbone interact. energy: 1.345
local terms energy: -64.572250
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -141.266128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.266128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.266128 (E_RNA)
where:
Base-Base interactions energy: -79.854
where: short stacking energy: -34.482
Base-Backbone interact. energy: -1.279
local terms energy: -60.132555
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -81.940614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940614 (E_RNA)
where:
Base-Base interactions energy: -37.920
where: short stacking energy: -37.920
Base-Backbone interact. energy: -0.135
local terms energy: -43.885630
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -5.956
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -71.674793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.674793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.674793 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -14.893
Base-Backbone interact. energy: -0.139
local terms energy: -42.412292
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: 3.419
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: 324
Temperature: 1.300000
Total energy: -71.171426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.171426 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.342
local terms energy: -41.167597
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -6.695
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: 324
Temperature: 1.350000
Total energy: -63.715859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.715859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.715859 (E_RNA)
where:
Base-Base interactions energy: -27.902
where: short stacking energy: -20.223
Base-Backbone interact. energy: -0.375
local terms energy: -35.438548
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -180.819803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819803 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -55.336
Base-Backbone interact. energy: -1.231
local terms energy: -60.487715
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -10.734
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -187.713247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.713247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.713247 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.149
local terms energy: -69.907825
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -165.736023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.736023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.736023 (E_RNA)
where:
Base-Base interactions energy: -100.678
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.088
local terms energy: -64.970913
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -161.231274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.231274 (E_RNA)
where:
Base-Base interactions energy: -102.717
where: short stacking energy: -49.716
Base-Backbone interact. energy: -0.267
local terms energy: -58.247257
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.172
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -132.510859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.510859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.510859 (E_RNA)
where:
Base-Base interactions energy: -81.501
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.822
local terms energy: -50.187252
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -133.554741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.554741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.554741 (E_RNA)
where:
Base-Base interactions energy: -80.109
where: short stacking energy: -36.704
Base-Backbone interact. energy: -1.145
local terms energy: -52.300587
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -114.445891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.445891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.445891 (E_RNA)
where:
Base-Base interactions energy: -59.388
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.076
local terms energy: -54.982114
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -75.406360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.406360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.406360 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -23.280
Base-Backbone interact. energy: -0.004
local terms energy: -43.866937
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -78.486540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.486540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.486540 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -21.955
Base-Backbone interact. energy: -0.146
local terms energy: -46.610861
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -1.951
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: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -77.022904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.022904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.022904 (E_RNA)
where:
Base-Base interactions energy: -27.550
where: short stacking energy: -17.050
Base-Backbone interact. energy: -0.364
local terms energy: -49.109662
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -174.481274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.481274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.481274 (E_RNA)
where:
Base-Base interactions energy: -107.029
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.864
local terms energy: -66.588714
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.181
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: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -178.976290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.976290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976290 (E_RNA)
where:
Base-Base interactions energy: -123.371
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.160
local terms energy: -55.445000
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -13.869
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -170.801022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.801022 (E_RNA)
where:
Base-Base interactions energy: -104.662
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.157
local terms energy: -65.981847
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -162.137732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.137732 (E_RNA)
where:
Base-Base interactions energy: -91.633
where: short stacking energy: -46.593
Base-Backbone interact. energy: -2.604
local terms energy: -67.901008
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -142.182262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.182262 (E_RNA)
where:
Base-Base interactions energy: -83.100
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.577
local terms energy: -58.504896
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -8.565
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: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -137.330442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.330442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.330442 (E_RNA)
where:
Base-Base interactions energy: -86.057
where: short stacking energy: -53.941
Base-Backbone interact. energy: -0.033
local terms energy: -51.239950
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -80.968951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.968951 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -20.046
Base-Backbone interact. energy: -0.090
local terms energy: -52.154269
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.731
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -72.876200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.876200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.876200 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -18.846
Base-Backbone interact. energy: -0.099
local terms energy: -40.218241
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.004
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -83.098354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.098354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.098354 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -22.622
Base-Backbone interact. energy: -0.047
local terms energy: -48.332189
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -70.002638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.002638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.002638 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -16.914
Base-Backbone interact. energy: -0.213
local terms energy: -43.321811
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -181.407520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.407520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.407520 (E_RNA)
where:
Base-Base interactions energy: -114.450
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.164
local terms energy: -66.793913
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -180.253067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.253067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.253067 (E_RNA)
where:
Base-Base interactions energy: -118.582
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.691
local terms energy: -60.980586
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -167.592497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592497 (E_RNA)
where:
Base-Base interactions energy: -97.979
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.004
local terms energy: -69.609291
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -17.289
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -148.004777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.004777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.004777 (E_RNA)
where:
Base-Base interactions energy: -83.838
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.014
local terms energy: -64.152344
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -158.512974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.512974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.512974 (E_RNA)
where:
Base-Base interactions energy: -100.673
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.314
local terms energy: -57.526137
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -0.443
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -126.241667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.241667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.241667 (E_RNA)
where:
Base-Base interactions energy: -67.586
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.431
local terms energy: -58.224673
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -8.570
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: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -81.797842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.797842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.797842 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -25.038
Base-Backbone interact. energy: -0.199
local terms energy: -48.032643
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -76.253767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.253767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.253767 (E_RNA)
where:
Base-Base interactions energy: -25.532
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.311
local terms energy: -50.410549
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -70.957924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.957924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.957924 (E_RNA)
where:
Base-Base interactions energy: -21.112
where: short stacking energy: -14.825
Base-Backbone interact. energy: -1.013
local terms energy: -48.832948
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -72.971490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.971490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.971490 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.017
local terms energy: -48.146608
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -174.360474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.360474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.360474 (E_RNA)
where:
Base-Base interactions energy: -112.935
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.763
local terms energy: -60.662108
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -177.265426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265426 (E_RNA)
where:
Base-Base interactions energy: -111.810
where: short stacking energy: -51.028
Base-Backbone interact. energy: -0.082
local terms energy: -65.373368
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -165.285259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.285259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.285259 (E_RNA)
where:
Base-Base interactions energy: -104.135
where: short stacking energy: -42.196
Base-Backbone interact. energy: -0.298
local terms energy: -60.851879
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -11.776
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: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -171.541042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.541042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.541042 (E_RNA)
where:
Base-Base interactions energy: -112.711
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.002
local terms energy: -58.827556
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -159.839716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.839716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.839716 (E_RNA)
where:
Base-Base interactions energy: -99.503
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.618
local terms energy: -59.718338
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -90.199044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199044 (E_RNA)
where:
Base-Base interactions energy: -50.695
where: short stacking energy: -35.978
Base-Backbone interact. energy: -0.187
local terms energy: -39.316803
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -80.990952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990952 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -23.504
Base-Backbone interact. energy: -0.466
local terms energy: -48.096862
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -5.325
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: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -83.028410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.028410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.028410 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -19.671
Base-Backbone interact. energy: 4.291
local terms energy: -59.711892
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.909
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: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -85.084610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.084610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.084610 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.050
local terms energy: -50.051637
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -85.024978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.024978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.024978 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.007
local terms energy: -53.008149
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -9.240
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: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -181.620592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.620592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.620592 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.510
local terms energy: -55.644398
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -171.048504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.048504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.048504 (E_RNA)
where:
Base-Base interactions energy: -109.723
where: short stacking energy: -36.041
Base-Backbone interact. energy: -1.277
local terms energy: -60.048787
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -177.422925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.422925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.422925 (E_RNA)
where:
Base-Base interactions energy: -109.098
where: short stacking energy: -47.028
Base-Backbone interact. energy: -0.000
local terms energy: -68.324152
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -17.555
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: 329
Temperature: 1.050000
Total energy: -161.948099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.948099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.948099 (E_RNA)
where:
Base-Base interactions energy: -94.613
where: short stacking energy: -47.933
Base-Backbone interact. energy: -0.679
local terms energy: -66.655824
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -161.025363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.025363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.025363 (E_RNA)
where:
Base-Base interactions energy: -101.267
where: short stacking energy: -42.460
Base-Backbone interact. energy: -0.145
local terms energy: -59.612746
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -87.174766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.174766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.174766 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -27.609
Base-Backbone interact. energy: -0.098
local terms energy: -55.723266
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -85.389622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389622 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -22.143
Base-Backbone interact. energy: -0.173
local terms energy: -48.206123
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: 0.547
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -72.606036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.606036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.606036 (E_RNA)
where:
Base-Base interactions energy: -26.896
where: short stacking energy: -10.899
Base-Backbone interact. energy: -0.689
local terms energy: -45.021634
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -96.258818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.258818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.258818 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -42.975
Base-Backbone interact. energy: -0.101
local terms energy: -53.183004
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -10.529
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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -74.075990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.075990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.075990 (E_RNA)
where:
Base-Base interactions energy: -20.838
where: short stacking energy: -14.139
Base-Backbone interact. energy: -0.296
local terms energy: -52.941602
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -178.895321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.895321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.895321 (E_RNA)
where:
Base-Base interactions energy: -118.143
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.293
local terms energy: -60.459784
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.998
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: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -177.410999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.410999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.410999 (E_RNA)
where:
Base-Base interactions energy: -112.460
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.869
local terms energy: -64.081885
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -166.032625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032625 (E_RNA)
where:
Base-Base interactions energy: -103.406
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.035
local terms energy: -62.591021
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -13.382
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: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -175.970887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.970887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.970887 (E_RNA)
where:
Base-Base interactions energy: -109.761
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.861
local terms energy: -65.348850
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -152.013967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.013967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.013967 (E_RNA)
where:
Base-Base interactions energy: -94.376
where: short stacking energy: -46.795
Base-Backbone interact. energy: -0.213
local terms energy: -57.424697
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -92.469412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469412 (E_RNA)
where:
Base-Base interactions energy: -41.642
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.140
local terms energy: -50.687658
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -81.956960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.956960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.956960 (E_RNA)
where:
Base-Base interactions energy: -37.889
where: short stacking energy: -27.412
Base-Backbone interact. energy: 2.151
local terms energy: -46.218942
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -4.169
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -84.538488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.538488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.538488 (E_RNA)
where:
Base-Base interactions energy: -40.244
where: short stacking energy: -40.244
Base-Backbone interact. energy: -0.002
local terms energy: -44.292083
where:
bonds (distance) C4'-P energy: -5.121
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -72.486247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.486247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.486247 (E_RNA)
where:
Base-Base interactions energy: -32.278
where: short stacking energy: -27.526
Base-Backbone interact. energy: -0.084
local terms energy: -40.124413
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: 3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -62.142264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.142264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.142264 (E_RNA)
where:
Base-Base interactions energy: -20.908
where: short stacking energy: -20.908
Base-Backbone interact. energy: -0.126
local terms energy: -41.108353
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -182.469546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.469546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.469546 (E_RNA)
where:
Base-Base interactions energy: -119.678
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.154
local terms energy: -62.637161
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -182.753273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.753273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753273 (E_RNA)
where:
Base-Base interactions energy: -114.390
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.079
local terms energy: -68.284145
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -180.676786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.676786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.676786 (E_RNA)
where:
Base-Base interactions energy: -115.694
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.811
local terms energy: -64.171597
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -4.800
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -146.024388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.024388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.024388 (E_RNA)
where:
Base-Base interactions energy: -84.460
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.097
local terms energy: -61.467414
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -169.856017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.856017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.856017 (E_RNA)
where:
Base-Base interactions energy: -103.363
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.967
local terms energy: -65.526024
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -20.033
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -89.971021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.971021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.971021 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -31.019
Base-Backbone interact. energy: -0.188
local terms energy: -58.764016
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -85.715647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.715647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.715647 (E_RNA)
where:
Base-Base interactions energy: -30.473
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.025
local terms energy: -55.217006
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -85.038290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038290 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.216
local terms energy: -41.144217
where:
bonds (distance) C4'-P energy: -1.848
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -70.333737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.333737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.333737 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -22.197
Base-Backbone interact. energy: -0.125
local terms energy: -44.752906
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -69.687857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.687857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.687857 (E_RNA)
where:
Base-Base interactions energy: -21.274
where: short stacking energy: -21.162
Base-Backbone interact. energy: -0.115
local terms energy: -48.298526
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -184.331479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.331479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.331479 (E_RNA)
where:
Base-Base interactions energy: -128.233
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.110
local terms energy: -55.988452
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -177.818514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.818514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.818514 (E_RNA)
where:
Base-Base interactions energy: -111.603
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.522
local terms energy: -65.693001
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -167.755935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.755935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.755935 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.012
local terms energy: -62.436679
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -15.346
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: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -164.228833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.228833 (E_RNA)
where:
Base-Base interactions energy: -105.005
where: short stacking energy: -49.067
Base-Backbone interact. energy: -0.912
local terms energy: -58.311636
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -157.357836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.357836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.357836 (E_RNA)
where:
Base-Base interactions energy: -91.158
where: short stacking energy: -45.853
Base-Backbone interact. energy: -0.238
local terms energy: -65.961813
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -108.136480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.136480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.136480 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -48.883
Base-Backbone interact. energy: 0.632
local terms energy: -58.667172
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.650
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: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -81.848592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.848592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.848592 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.146
local terms energy: -47.462610
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -85.455642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455642 (E_RNA)
where:
Base-Base interactions energy: -45.406
where: short stacking energy: -20.202
Base-Backbone interact. energy: -0.433
local terms energy: -39.616484
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -2.207
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: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -75.600307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.600307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.600307 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.014
local terms energy: -51.452031
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -73.244606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.244606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.244606 (E_RNA)
where:
Base-Base interactions energy: -31.212
where: short stacking energy: -21.069
Base-Backbone interact. energy: -0.779
local terms energy: -41.252986
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -2.874
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -189.256347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.256347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.256347 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.987
local terms energy: -60.351090
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -182.707034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.707034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.707034 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.321
local terms energy: -65.999407
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -168.362883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.362883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.362883 (E_RNA)
where:
Base-Base interactions energy: -102.492
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.001
local terms energy: -65.869834
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -15.925
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -155.943487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.943487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.943487 (E_RNA)
where:
Base-Base interactions energy: -90.845
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.757
local terms energy: -64.341608
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -144.548838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.548838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.548838 (E_RNA)
where:
Base-Base interactions energy: -88.025
where: short stacking energy: -45.714
Base-Backbone interact. energy: 0.888
local terms energy: -57.412576
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -90.728020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.728020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.728020 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.212
local terms energy: -51.803540
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -77.938560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.938560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.938560 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -27.606
Base-Backbone interact. energy: -0.021
local terms energy: -48.592152
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -0.473
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: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -80.411567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.411567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.411567 (E_RNA)
where:
Base-Base interactions energy: -30.302
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.065
local terms energy: -50.044634
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -68.772160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.772160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.772160 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -22.994
Base-Backbone interact. energy: -0.276
local terms energy: -38.047963
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: 1.065
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: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.707251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.707251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.707251 (E_RNA)
where:
Base-Base interactions energy: -31.356
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.088
local terms energy: -47.262621
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -193.269954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269954 (E_RNA)
where:
Base-Base interactions energy: -129.097
where: short stacking energy: -45.804
Base-Backbone interact. energy: -0.718
local terms energy: -63.455330
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -179.313367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.313367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.313367 (E_RNA)
where:
Base-Base interactions energy: -113.271
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.282
local terms energy: -65.759490
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -172.647510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.647510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.647510 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -55.832
Base-Backbone interact. energy: -1.458
local terms energy: -58.618716
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -159.796785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.796785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.796785 (E_RNA)
where:
Base-Base interactions energy: -96.116
where: short stacking energy: -46.470
Base-Backbone interact. energy: -0.058
local terms energy: -63.622869
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -155.952466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.952466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.952466 (E_RNA)
where:
Base-Base interactions energy: -96.828
where: short stacking energy: -41.442
Base-Backbone interact. energy: 1.376
local terms energy: -60.501042
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.737
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: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -89.572644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572644 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.499
local terms energy: -53.681803
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -80.408278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.408278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.408278 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.064
local terms energy: -53.747274
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -91.102608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.102608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.102608 (E_RNA)
where:
Base-Base interactions energy: -46.263
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.136
local terms energy: -44.703278
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -8.419
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: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -76.269443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.269443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.269443 (E_RNA)
where:
Base-Base interactions energy: -25.922
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.150
local terms energy: -50.197480
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -63.036250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.036250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.036250 (E_RNA)
where:
Base-Base interactions energy: -18.396
where: short stacking energy: -6.061
Base-Backbone interact. energy: 0.460
local terms energy: -45.100169
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -200.580238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.580238 (E_RNA)
where:
Base-Base interactions energy: -133.977
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.430
local terms energy: -66.173955
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -11.943
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: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -175.924069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.924069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.924069 (E_RNA)
where:
Base-Base interactions energy: -108.004
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.161
local terms energy: -67.759118
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -172.013309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.013309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.013309 (E_RNA)
where:
Base-Base interactions energy: -100.647
where: short stacking energy: -53.215
Base-Backbone interact. energy: 0.243
local terms energy: -71.609258
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -163.281398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281398 (E_RNA)
where:
Base-Base interactions energy: -100.439
where: short stacking energy: -50.045
Base-Backbone interact. energy: -0.004
local terms energy: -62.838251
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -147.189161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.189161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.189161 (E_RNA)
where:
Base-Base interactions energy: -85.725
where: short stacking energy: -42.961
Base-Backbone interact. energy: 0.770
local terms energy: -62.233337
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -87.509919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.509919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.509919 (E_RNA)
where:
Base-Base interactions energy: -39.385
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.056
local terms energy: -48.068374
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -80.612527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.612527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.612527 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.061
local terms energy: -54.347840
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.686
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: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -104.112608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.112608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.112608 (E_RNA)
where:
Base-Base interactions energy: -54.656
where: short stacking energy: -31.650
Base-Backbone interact. energy: -0.172
local terms energy: -49.284730
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -6.984
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -67.270969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.270969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.270969 (E_RNA)
where:
Base-Base interactions energy: -25.543
where: short stacking energy: -14.175
Base-Backbone interact. energy: -1.232
local terms energy: -40.496272
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: 0.707
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: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -68.757671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.757671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.757671 (E_RNA)
where:
Base-Base interactions energy: -22.355
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.080
local terms energy: -46.322992
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -3.870
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: 336
Temperature: 0.900000
Total energy: -176.355650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355650 (E_RNA)
where:
Base-Base interactions energy: -108.938
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.002
local terms energy: -67.415211
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -192.038891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.038891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.038891 (E_RNA)
where:
Base-Base interactions energy: -125.854
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.401
local terms energy: -65.784014
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -162.483700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.483700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.483700 (E_RNA)
where:
Base-Base interactions energy: -95.078
where: short stacking energy: -47.728
Base-Backbone interact. energy: -0.249
local terms energy: -67.156399
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -173.242172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242172 (E_RNA)
where:
Base-Base interactions energy: -110.501
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.108
local terms energy: -62.632291
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -148.159657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.159657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.159657 (E_RNA)
where:
Base-Base interactions energy: -93.121
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.218
local terms energy: -54.820812
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -9.497
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -77.443050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443050 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -18.339
Base-Backbone interact. energy: -0.319
local terms energy: -49.569401
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -77.288306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.288306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.288306 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.201
local terms energy: -43.616800
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -88.435635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435635 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -31.992
Base-Backbone interact. energy: -0.003
local terms energy: -56.440683
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -8.658
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: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -70.150492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.150492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.150492 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -29.738
Base-Backbone interact. energy: -1.188
local terms energy: -38.889928
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.306
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: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -70.027689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.027689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.027689 (E_RNA)
where:
Base-Base interactions energy: -24.075
where: short stacking energy: -17.161
Base-Backbone interact. energy: -0.472
local terms energy: -45.480179
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: 1.227
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: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -181.887077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.887077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.887077 (E_RNA)
where:
Base-Base interactions energy: -110.023
where: short stacking energy: -50.732
Base-Backbone interact. energy: -1.265
local terms energy: -70.599267
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -172.853640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.853640 (E_RNA)
where:
Base-Base interactions energy: -112.638
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.073
local terms energy: -60.142487
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -1.538
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -185.460450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.460450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.460450 (E_RNA)
where:
Base-Base interactions energy: -123.302
where: short stacking energy: -52.097
Base-Backbone interact. energy: 0.493
local terms energy: -62.651945
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -16.172
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: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -167.518935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.518935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.518935 (E_RNA)
where:
Base-Base interactions energy: -107.080
where: short stacking energy: -50.394
Base-Backbone interact. energy: -0.340
local terms energy: -60.099051
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -151.763407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.763407 (E_RNA)
where:
Base-Base interactions energy: -95.867
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.234
local terms energy: -55.662510
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -83.689746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689746 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -21.504
Base-Backbone interact. energy: -0.059
local terms energy: -47.648694
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -93.135953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.135953 (E_RNA)
where:
Base-Base interactions energy: -42.851
where: short stacking energy: -42.851
Base-Backbone interact. energy: -0.000
local terms energy: -50.284929
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -82.769068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.769068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.769068 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -29.937
Base-Backbone interact. energy: -0.206
local terms energy: -52.626159
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -1.729
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: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -69.202992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.202992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.202992 (E_RNA)
where:
Base-Base interactions energy: -23.563
where: short stacking energy: -23.563
Base-Backbone interact. energy: -0.138
local terms energy: -45.501699
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -3.476
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: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -72.462369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.462369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.462369 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -19.668
Base-Backbone interact. energy: -0.245
local terms energy: -43.292372
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -188.909068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.909068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.909068 (E_RNA)
where:
Base-Base interactions energy: -117.804
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.581
local terms energy: -70.523437
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -167.004152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.004152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.004152 (E_RNA)
where:
Base-Base interactions energy: -103.926
where: short stacking energy: -43.685
Base-Backbone interact. energy: -1.455
local terms energy: -61.622999
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -181.458784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.458784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.458784 (E_RNA)
where:
Base-Base interactions energy: -117.540
where: short stacking energy: -50.535
Base-Backbone interact. energy: -0.007
local terms energy: -63.911829
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -162.534528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.534528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.534528 (E_RNA)
where:
Base-Base interactions energy: -107.657
where: short stacking energy: -48.437
Base-Backbone interact. energy: -0.336
local terms energy: -54.541577
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -14.150
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -106.155937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.155937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.155937 (E_RNA)
where:
Base-Base interactions energy: -53.442
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.295
local terms energy: -52.418398
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -152.032444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.032444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.032444 (E_RNA)
where:
Base-Base interactions energy: -96.716
where: short stacking energy: -44.756
Base-Backbone interact. energy: 1.472
local terms energy: -56.789225
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.224521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224521 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.198
local terms energy: -50.745652
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -10.427
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: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -81.089303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.089303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.089303 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.419
local terms energy: -51.682891
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.711
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: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -70.622699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.622699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.622699 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -12.674
Base-Backbone interact. energy: 0.804
local terms energy: -42.154235
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: 3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -62.808766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.808766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.808766 (E_RNA)
where:
Base-Base interactions energy: -15.615
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.251
local terms energy: -46.942281
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: 2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -180.524138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.524138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.524138 (E_RNA)
where:
Base-Base interactions energy: -111.105
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.559
local terms energy: -68.860254
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -179.642986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.642986 (E_RNA)
where:
Base-Base interactions energy: -120.033
where: short stacking energy: -43.352
Base-Backbone interact. energy: -0.410
local terms energy: -59.199823
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -186.503247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.503247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.503247 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -52.550
Base-Backbone interact. energy: 0.632
local terms energy: -59.251605
where:
bonds (distance) C4'-P energy: -6.496
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.617
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -115.303984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.303984 (E_RNA)
where:
Base-Base interactions energy: -70.861
where: short stacking energy: -35.202
Base-Backbone interact. energy: -0.742
local terms energy: -43.700826
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -7.620
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -4.443
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: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -159.292993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.292993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.292993 (E_RNA)
where:
Base-Base interactions energy: -92.239
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.251
local terms energy: -66.802338
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -150.517385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.517385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.517385 (E_RNA)
where:
Base-Base interactions energy: -101.937
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.759
local terms energy: -47.821861
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -90.806431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806431 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.193
local terms energy: -49.839503
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -11.865
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: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -72.744429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.744429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.744429 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -15.906
Base-Backbone interact. energy: -0.166
local terms energy: -42.196023
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.256
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: 339
Temperature: 1.300000
Total energy: -77.767535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.767535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.767535 (E_RNA)
where:
Base-Base interactions energy: -31.815
where: short stacking energy: -22.256
Base-Backbone interact. energy: -0.044
local terms energy: -45.908333
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -74.647165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.647165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.647165 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.171
local terms energy: -41.161475
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.383
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -196.076714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.076714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.076714 (E_RNA)
where:
Base-Base interactions energy: -136.895
where: short stacking energy: -58.799
Base-Backbone interact. energy: -1.078
local terms energy: -58.103654
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -169.988409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.988409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.988409 (E_RNA)
where:
Base-Base interactions energy: -103.247
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.261
local terms energy: -66.480168
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -7.953
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: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -163.555237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.555237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.555237 (E_RNA)
where:
Base-Base interactions energy: -104.819
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.588
local terms energy: -58.148803
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -10.975
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -85.530949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530949 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.087
local terms energy: -47.385617
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -7.646
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -150.240604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.240604 (E_RNA)
where:
Base-Base interactions energy: -90.880
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.113
local terms energy: -59.247362
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -103.995020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.995020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.995020 (E_RNA)
where:
Base-Base interactions energy: -60.607
where: short stacking energy: -33.575
Base-Backbone interact. energy: -0.011
local terms energy: -43.377333
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -6.703
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -97.834954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834954 (E_RNA)
where:
Base-Base interactions energy: -54.018
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.905
local terms energy: -42.911325
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -70.258530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.258530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.258530 (E_RNA)
where:
Base-Base interactions energy: -26.355
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.966
local terms energy: -42.937749
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -1.014
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: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -74.878449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.878449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.878449 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.245
local terms energy: -47.677730
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -7.531
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -83.396091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.396091 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.043
local terms energy: -48.414254
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -183.977424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.977424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.977424 (E_RNA)
where:
Base-Base interactions energy: -123.637
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.117
local terms energy: -60.223651
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -12.941
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: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -167.207168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.207168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.207168 (E_RNA)
where:
Base-Base interactions energy: -100.915
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.167
local terms energy: -66.125417
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -8.972
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -176.515462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.515462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.515462 (E_RNA)
where:
Base-Base interactions energy: -111.297
where: short stacking energy: -51.934
Base-Backbone interact. energy: -0.372
local terms energy: -64.846301
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -149.546982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.546982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.546982 (E_RNA)
where:
Base-Base interactions energy: -94.850
where: short stacking energy: -50.191
Base-Backbone interact. energy: -0.105
local terms energy: -54.592245
where:
bonds (distance) C4'-P energy: -7.352
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -99.550359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.550359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.550359 (E_RNA)
where:
Base-Base interactions energy: -47.394
where: short stacking energy: -37.130
Base-Backbone interact. energy: 1.669
local terms energy: -53.825425
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -100.081302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.081302 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.333
local terms energy: -48.670457
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -88.205886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.205886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.205886 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -38.739
Base-Backbone interact. energy: 0.576
local terms energy: -50.042330
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -8.266
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -79.728646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.728646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.728646 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.140
local terms energy: -38.378370
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -0.540
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -75.858326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858326 (E_RNA)
where:
Base-Base interactions energy: -28.282
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.541
local terms energy: -47.035296
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -72.622390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.622390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.622390 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -20.669
Base-Backbone interact. energy: -0.100
local terms energy: -36.186842
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -180.029029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.029029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.029029 (E_RNA)
where:
Base-Base interactions energy: -107.694
where: short stacking energy: -49.491
Base-Backbone interact. energy: -0.471
local terms energy: -71.864301
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -14.438
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: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -153.647895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.647895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.647895 (E_RNA)
where:
Base-Base interactions energy: -94.518
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.045
local terms energy: -59.084920
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -12.881
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -164.605938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.605938 (E_RNA)
where:
Base-Base interactions energy: -98.017
where: short stacking energy: -52.195
Base-Backbone interact. energy: -0.385
local terms energy: -66.203382
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -161.009561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.009561 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -50.587
Base-Backbone interact. energy: 0.238
local terms energy: -60.549826
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -132.134771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.134771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.134771 (E_RNA)
where:
Base-Base interactions energy: -72.112
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.007
local terms energy: -60.015233
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -91.101119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.101119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.101119 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.422
local terms energy: -46.710713
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -97.002106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.002106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.002106 (E_RNA)
where:
Base-Base interactions energy: -45.778
where: short stacking energy: -45.778
Base-Backbone interact. energy: -0.005
local terms energy: -51.219344
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -79.468034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.468034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.468034 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.026
local terms energy: -51.019426
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -11.356
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -84.885368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885368 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.192
local terms energy: -48.741173
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -5.899
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: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.794048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.794048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.794048 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -25.400
Base-Backbone interact. energy: 0.322
local terms energy: -48.657380
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -5.793
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -183.032959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.032959 (E_RNA)
where:
Base-Base interactions energy: -118.815
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.287
local terms energy: -63.930520
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -14.414
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: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -169.534189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.534189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.534189 (E_RNA)
where:
Base-Base interactions energy: -106.089
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.108
local terms energy: -63.337491
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -171.772974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.772974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.772974 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.117
local terms energy: -58.342834
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -146.631565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.631565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.631565 (E_RNA)
where:
Base-Base interactions energy: -88.265
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.046
local terms energy: -58.321137
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -5.906
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: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -161.851592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.851592 (E_RNA)
where:
Base-Base interactions energy: -103.472
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.021
local terms energy: -58.359036
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -93.241354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.241354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.241354 (E_RNA)
where:
Base-Base interactions energy: -42.052
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.384
local terms energy: -50.805935
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -77.246923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.246923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.246923 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.657
local terms energy: -40.986965
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -93.842583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842583 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.723
local terms energy: -47.443791
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -69.437267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.437267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.437267 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -29.660
Base-Backbone interact. energy: 0.360
local terms energy: -35.868477
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -1.881
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: 1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -69.899999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.899999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.899999 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -18.837
Base-Backbone interact. energy: -0.125
local terms energy: -44.831169
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -178.166264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.166264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.166264 (E_RNA)
where:
Base-Base interactions energy: -117.058
where: short stacking energy: -49.030
Base-Backbone interact. energy: -0.389
local terms energy: -60.719450
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -176.978754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.978754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.978754 (E_RNA)
where:
Base-Base interactions energy: -105.331
where: short stacking energy: -49.611
Base-Backbone interact. energy: -1.288
local terms energy: -70.359584
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -174.745537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.745537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.745537 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.765
local terms energy: -65.618070
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -149.463610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.463610 (E_RNA)
where:
Base-Base interactions energy: -85.249
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.469
local terms energy: -63.745820
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -156.632644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.632644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.632644 (E_RNA)
where:
Base-Base interactions energy: -97.178
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.783
local terms energy: -58.671134
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -11.127
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: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -128.259038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.259038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.259038 (E_RNA)
where:
Base-Base interactions energy: -75.911
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.049
local terms energy: -52.299117
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -80.756166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.756166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.756166 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.126
local terms energy: -47.125810
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -74.823467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.823467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.823467 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.160
local terms energy: -44.345926
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -72.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.722033 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -18.947
Base-Backbone interact. energy: -0.239
local terms energy: -39.797313
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -67.526387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.526387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.526387 (E_RNA)
where:
Base-Base interactions energy: -24.969
where: short stacking energy: -20.008
Base-Backbone interact. energy: 1.078
local terms energy: -43.635386
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -172.701357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.701357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.701357 (E_RNA)
where:
Base-Base interactions energy: -109.244
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.060
local terms energy: -63.397282
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -175.787852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.787852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.787852 (E_RNA)
where:
Base-Base interactions energy: -102.505
where: short stacking energy: -52.652
Base-Backbone interact. energy: -3.119
local terms energy: -70.163506
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -11.668
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -166.465600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.465600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.465600 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -48.539
Base-Backbone interact. energy: -0.405
local terms energy: -63.031011
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -169.203563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.203563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.203563 (E_RNA)
where:
Base-Base interactions energy: -115.536
where: short stacking energy: -46.795
Base-Backbone interact. energy: -0.810
local terms energy: -52.856937
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -133.648291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.648291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.648291 (E_RNA)
where:
Base-Base interactions energy: -69.363
where: short stacking energy: -44.651
Base-Backbone interact. energy: -0.057
local terms energy: -64.228711
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -79.641080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.641080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.641080 (E_RNA)
where:
Base-Base interactions energy: -29.090
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.726
local terms energy: -49.825542
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -134.407891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.407891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.407891 (E_RNA)
where:
Base-Base interactions energy: -74.695
where: short stacking energy: -39.132
Base-Backbone interact. energy: -0.109
local terms energy: -59.603399
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -73.634935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.634935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.634935 (E_RNA)
where:
Base-Base interactions energy: -27.966
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.086
local terms energy: -45.583475
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -9.567
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: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -74.474514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.474514 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.163
local terms energy: -42.018319
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -75.270722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.270722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.270722 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -12.122
Base-Backbone interact. energy: 1.028
local terms energy: -51.608859
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -183.633523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.633523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.633523 (E_RNA)
where:
Base-Base interactions energy: -119.154
where: short stacking energy: -50.513
Base-Backbone interact. energy: -1.443
local terms energy: -63.037027
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -178.290669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.290669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.290669 (E_RNA)
where:
Base-Base interactions energy: -117.201
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.829
local terms energy: -60.260737
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -171.711814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.711814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.711814 (E_RNA)
where:
Base-Base interactions energy: -104.911
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.041
local terms energy: -66.759400
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -158.142377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.142377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.142377 (E_RNA)
where:
Base-Base interactions energy: -93.996
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.013
local terms energy: -64.133374
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.110
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -120.478245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.478245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.478245 (E_RNA)
where:
Base-Base interactions energy: -65.587
where: short stacking energy: -44.433
Base-Backbone interact. energy: -0.054
local terms energy: -54.837296
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -89.106428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.106428 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.001
local terms energy: -56.109941
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -9.400
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: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -79.568373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.568373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.568373 (E_RNA)
where:
Base-Base interactions energy: -23.750
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.372
local terms energy: -55.446435
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -8.421
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: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -80.803972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.803972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.803972 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -30.526
Base-Backbone interact. energy: -0.251
local terms energy: -49.632160
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -77.269402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.269402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.269402 (E_RNA)
where:
Base-Base interactions energy: -26.026
where: short stacking energy: -25.826
Base-Backbone interact. energy: -0.010
local terms energy: -51.233729
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -65.545960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.545960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.545960 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -24.289
Base-Backbone interact. energy: -0.293
local terms energy: -40.964378
where:
bonds (distance) C4'-P energy: -4.467
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -9.934
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: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -176.913849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.913849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.913849 (E_RNA)
where:
Base-Base interactions energy: -112.167
where: short stacking energy: -48.485
Base-Backbone interact. energy: -0.137
local terms energy: -64.609536
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -176.513692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.513692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.513692 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.029
local terms energy: -61.368103
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -177.471521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.471521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.471521 (E_RNA)
where:
Base-Base interactions energy: -115.821
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.947
local terms energy: -60.703213
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -166.652853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.652853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.652853 (E_RNA)
where:
Base-Base interactions energy: -107.704
where: short stacking energy: -49.937
Base-Backbone interact. energy: -1.061
local terms energy: -57.887607
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -108.458927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.458927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.458927 (E_RNA)
where:
Base-Base interactions energy: -51.573
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.182
local terms energy: -56.704440
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -84.752792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.752792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.752792 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.107
local terms energy: -54.214196
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -7.027
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: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -73.376284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.376284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.376284 (E_RNA)
where:
Base-Base interactions energy: -21.991
where: short stacking energy: -21.991
Base-Backbone interact. energy: -0.300
local terms energy: -51.085373
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -3.260
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: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -77.065511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065511 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -27.352
Base-Backbone interact. energy: -1.426
local terms energy: -47.218382
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -81.891184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.891184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.891184 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -18.095
Base-Backbone interact. energy: -0.124
local terms energy: -47.972067
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -1.572
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -78.116308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.116308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.116308 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.137
local terms energy: -43.585649
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -175.199700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.199700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.199700 (E_RNA)
where:
Base-Base interactions energy: -109.359
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.119
local terms energy: -65.721901
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -169.946616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.946616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.946616 (E_RNA)
where:
Base-Base interactions energy: -102.266
where: short stacking energy: -51.356
Base-Backbone interact. energy: -1.355
local terms energy: -66.325669
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -175.639791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.639791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.639791 (E_RNA)
where:
Base-Base interactions energy: -115.737
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.743
local terms energy: -59.159814
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -168.938800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.938800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.938800 (E_RNA)
where:
Base-Base interactions energy: -101.036
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.000
local terms energy: -67.902158
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -97.914722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.914722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.914722 (E_RNA)
where:
Base-Base interactions energy: -54.015
where: short stacking energy: -44.712
Base-Backbone interact. energy: -0.021
local terms energy: -43.878139
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -6.172
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -95.009869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009869 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -27.181
Base-Backbone interact. energy: 0.119
local terms energy: -48.323133
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -97.444337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.444337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.444337 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -39.548
Base-Backbone interact. energy: -0.739
local terms energy: -55.868062
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -76.163077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163077 (E_RNA)
where:
Base-Base interactions energy: -23.548
where: short stacking energy: -23.548
Base-Backbone interact. energy: 0.421
local terms energy: -53.036221
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -84.412726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412726 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -25.672
Base-Backbone interact. energy: 0.065
local terms energy: -44.200847
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -68.675792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.675792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.675792 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -15.591
Base-Backbone interact. energy: -0.377
local terms energy: -40.144636
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -179.384375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.384375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.384375 (E_RNA)
where:
Base-Base interactions energy: -115.892
where: short stacking energy: -50.903
Base-Backbone interact. energy: 0.300
local terms energy: -63.792938
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.806
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: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -178.801579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801579 (E_RNA)
where:
Base-Base interactions energy: -113.273
where: short stacking energy: -51.912
Base-Backbone interact. energy: -0.110
local terms energy: -65.418254
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -169.793432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.793432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.793432 (E_RNA)
where:
Base-Base interactions energy: -106.789
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.338
local terms energy: -62.666576
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -134.852287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.852287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.852287 (E_RNA)
where:
Base-Base interactions energy: -78.117
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.102
local terms energy: -56.632701
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -9.319
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: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -157.150206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.150206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.150206 (E_RNA)
where:
Base-Base interactions energy: -99.147
where: short stacking energy: -47.706
Base-Backbone interact. energy: -0.765
local terms energy: -57.238695
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -93.387455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.387455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.387455 (E_RNA)
where:
Base-Base interactions energy: -43.183
where: short stacking energy: -25.590
Base-Backbone interact. energy: -0.005
local terms energy: -50.198730
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -6.984
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: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -92.526002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526002 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.231
local terms energy: -51.306968
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -88.029589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029589 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -32.088
Base-Backbone interact. energy: 0.192
local terms energy: -51.623898
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -8.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -68.198377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.198377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.198377 (E_RNA)
where:
Base-Base interactions energy: -18.813
where: short stacking energy: -13.173
Base-Backbone interact. energy: 0.792
local terms energy: -50.177965
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: 2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -70.902095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.902095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.902095 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -18.922
Base-Backbone interact. energy: -0.105
local terms energy: -37.613307
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -184.414980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.414980 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.132
local terms energy: -64.990663
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.189
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -184.547705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547705 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.283
local terms energy: -70.442929
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -167.860217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.860217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.860217 (E_RNA)
where:
Base-Base interactions energy: -103.208
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.650
local terms energy: -64.001611
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -127.003934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.003934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.003934 (E_RNA)
where:
Base-Base interactions energy: -69.558
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.228
local terms energy: -57.218381
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -109.576617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.576617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.576617 (E_RNA)
where:
Base-Base interactions energy: -59.435
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.193
local terms energy: -49.949121
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -145.132202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.132202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.132202 (E_RNA)
where:
Base-Base interactions energy: -89.702
where: short stacking energy: -44.308
Base-Backbone interact. energy: -0.189
local terms energy: -55.241287
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -80.553380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.553380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.553380 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.050
local terms energy: -54.842391
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -8.677
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: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -76.869590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.869590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.869590 (E_RNA)
where:
Base-Base interactions energy: -24.983
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.020
local terms energy: -51.866948
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -83.512183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.512183 (E_RNA)
where:
Base-Base interactions energy: -31.721
where: short stacking energy: -23.704
Base-Backbone interact. energy: -0.080
local terms energy: -51.711742
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -66.270056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.270056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.270056 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -25.970
Base-Backbone interact. energy: 0.519
local terms energy: -39.708509
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: -5.167
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: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -180.073965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073965 (E_RNA)
where:
Base-Base interactions energy: -108.306
where: short stacking energy: -44.676
Base-Backbone interact. energy: -0.262
local terms energy: -71.505403
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -170.649033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.649033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.649033 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.283
local terms energy: -66.268561
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -177.374655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.374655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.374655 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.001
local terms energy: -63.738496
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -15.796
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: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -123.145230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.145230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.145230 (E_RNA)
where:
Base-Base interactions energy: -72.141
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.376
local terms energy: -50.627905
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.579
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: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -109.118875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.118875 (E_RNA)
where:
Base-Base interactions energy: -59.987
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.319
local terms energy: -48.812172
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -2.567
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -134.143696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.143696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.143696 (E_RNA)
where:
Base-Base interactions energy: -87.519
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.040
local terms energy: -46.585441
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -88.579365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.579365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.579365 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.393
local terms energy: -50.501007
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -94.800753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.800753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.800753 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.042
local terms energy: -55.642797
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -73.176296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.176296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.176296 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.239
local terms energy: -43.406199
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -84.121910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.121910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.121910 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.091
local terms energy: -38.225053
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -178.592337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.592337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.592337 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -48.490
Base-Backbone interact. energy: -0.998
local terms energy: -54.084557
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -186.377161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377161 (E_RNA)
where:
Base-Base interactions energy: -121.811
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.720
local terms energy: -63.846400
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -17.660
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: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -157.495419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.495419 (E_RNA)
where:
Base-Base interactions energy: -96.388
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.004
local terms energy: -61.103682
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -127.120575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.120575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.120575 (E_RNA)
where:
Base-Base interactions energy: -76.830
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.065
local terms energy: -50.225801
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.287
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: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -135.698090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.698090 (E_RNA)
where:
Base-Base interactions energy: -74.169
where: short stacking energy: -35.933
Base-Backbone interact. energy: 0.146
local terms energy: -61.675441
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -107.979964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.979964 (E_RNA)
where:
Base-Base interactions energy: -49.766
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.253
local terms energy: -57.960744
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -83.019134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019134 (E_RNA)
where:
Base-Base interactions energy: -31.812
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.280
local terms energy: -50.926482
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -78.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.894266 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -24.238
Base-Backbone interact. energy: 1.474
local terms energy: -44.434436
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -2.491
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: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -79.597434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.597434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.597434 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -27.928
Base-Backbone interact. energy: -0.037
local terms energy: -42.429069
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -3.626
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: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -66.940633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.940633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.940633 (E_RNA)
where:
Base-Base interactions energy: -27.942
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.097
local terms energy: -38.901734
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -181.216338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.216338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.216338 (E_RNA)
where:
Base-Base interactions energy: -124.894
where: short stacking energy: -46.026
Base-Backbone interact. energy: -1.510
local terms energy: -54.811890
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -178.181291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.181291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.181291 (E_RNA)
where:
Base-Base interactions energy: -119.944
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.049
local terms energy: -58.187745
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -5.964
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -172.772416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.772416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.772416 (E_RNA)
where:
Base-Base interactions energy: -109.146
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.469
local terms energy: -63.157478
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -157.092925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.092925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.092925 (E_RNA)
where:
Base-Base interactions energy: -95.710
where: short stacking energy: -45.523
Base-Backbone interact. energy: -0.854
local terms energy: -60.528639
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -115.485441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.485441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.485441 (E_RNA)
where:
Base-Base interactions energy: -63.318
where: short stacking energy: -35.456
Base-Backbone interact. energy: -0.220
local terms energy: -51.947054
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -8.200
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: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -87.078660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078660 (E_RNA)
where:
Base-Base interactions energy: -34.051
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.386
local terms energy: -52.641513
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -86.839178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839178 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -35.313
Base-Backbone interact. energy: 0.227
local terms energy: -51.753015
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -73.344511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.344511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.344511 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.277
local terms energy: -43.580379
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -72.609290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.609290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.609290 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -22.155
Base-Backbone interact. energy: 1.266
local terms energy: -42.630319
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -8.500
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -76.981490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981490 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -30.407
Base-Backbone interact. energy: 0.930
local terms energy: -47.503796
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -176.980489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.980489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.980489 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.073
local terms energy: -59.963600
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -4.866
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: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -186.140031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.140031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.140031 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.100
local terms energy: -57.597971
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -11.339
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: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -147.119242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.119242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.119242 (E_RNA)
where:
Base-Base interactions energy: -87.135
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.105
local terms energy: -59.879329
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -11.120
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: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -173.829276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.829276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.829276 (E_RNA)
where:
Base-Base interactions energy: -106.950
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.616
local terms energy: -66.262478
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -98.313483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.313483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.313483 (E_RNA)
where:
Base-Base interactions energy: -46.979
where: short stacking energy: -34.783
Base-Backbone interact. energy: -0.510
local terms energy: -50.824689
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -125.265518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.265518 (E_RNA)
where:
Base-Base interactions energy: -75.046
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.088
local terms energy: -50.131586
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -82.880351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.880351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.880351 (E_RNA)
where:
Base-Base interactions energy: -38.887
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.261
local terms energy: -43.732765
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -1.061
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -78.752271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.752271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.752271 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -19.918
Base-Backbone interact. energy: -0.129
local terms energy: -46.891483
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -75.769677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769677 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.323
local terms energy: -46.570688
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -63.373268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.373268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.373268 (E_RNA)
where:
Base-Base interactions energy: -19.308
where: short stacking energy: -19.308
Base-Backbone interact. energy: -0.025
local terms energy: -44.041013
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -181.695059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.695059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.695059 (E_RNA)
where:
Base-Base interactions energy: -122.447
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.228
local terms energy: -59.019837
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -183.432512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.432512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.432512 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.153
local terms energy: -63.304279
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -152.734143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.734143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.734143 (E_RNA)
where:
Base-Base interactions energy: -90.406
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.495
local terms energy: -61.833159
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -168.057604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.057604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.057604 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.003
local terms energy: -57.937367
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -136.729598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.729598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.729598 (E_RNA)
where:
Base-Base interactions energy: -74.115
where: short stacking energy: -45.211
Base-Backbone interact. energy: -0.008
local terms energy: -62.606636
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -94.527843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527843 (E_RNA)
where:
Base-Base interactions energy: -40.354
where: short stacking energy: -18.127
Base-Backbone interact. energy: -0.224
local terms energy: -53.949736
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.410
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: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -98.167878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.167878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.167878 (E_RNA)
where:
Base-Base interactions energy: -48.335
where: short stacking energy: -21.699
Base-Backbone interact. energy: -0.430
local terms energy: -49.402482
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -70.601601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.601601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.601601 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -18.384
Base-Backbone interact. energy: 0.136
local terms energy: -42.321259
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -79.935042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.935042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.935042 (E_RNA)
where:
Base-Base interactions energy: -46.146
where: short stacking energy: -23.918
Base-Backbone interact. energy: 0.145
local terms energy: -33.933952
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -8.487
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: 0.409
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: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -85.633940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633940 (E_RNA)
where:
Base-Base interactions energy: -47.708
where: short stacking energy: -16.011
Base-Backbone interact. energy: -0.221
local terms energy: -37.704810
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -178.486393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.486393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.486393 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.574
local terms energy: -69.471458
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -185.208358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.208358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208358 (E_RNA)
where:
Base-Base interactions energy: -116.681
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.744
local terms energy: -67.784160
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -18.427
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: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -181.971252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.971252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.971252 (E_RNA)
where:
Base-Base interactions energy: -114.189
where: short stacking energy: -57.315
Base-Backbone interact. energy: -1.895
local terms energy: -65.887252
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -149.523946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.523946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.523946 (E_RNA)
where:
Base-Base interactions energy: -91.853
where: short stacking energy: -39.500
Base-Backbone interact. energy: -0.289
local terms energy: -57.381761
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -9.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -133.433807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.433807 (E_RNA)
where:
Base-Base interactions energy: -71.919
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.718
local terms energy: -60.796834
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -82.402547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.402547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.402547 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -26.721
Base-Backbone interact. energy: -0.452
local terms energy: -51.312569
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -9.458
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: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -98.086050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.086050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.086050 (E_RNA)
where:
Base-Base interactions energy: -48.329
where: short stacking energy: -27.230
Base-Backbone interact. energy: -0.621
local terms energy: -49.135733
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -83.192770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192770 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.004
local terms energy: -49.416922
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -68.434334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.434334 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -20.488
Base-Backbone interact. energy: -0.012
local terms energy: -40.509798
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -1.902
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: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -75.111799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.111799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.111799 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.024
local terms energy: -45.687208
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -3.492
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -175.613506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.613506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.613506 (E_RNA)
where:
Base-Base interactions energy: -111.936
where: short stacking energy: -53.387
Base-Backbone interact. energy: -1.056
local terms energy: -62.621287
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.164
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: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -173.018466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.018466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.018466 (E_RNA)
where:
Base-Base interactions energy: -113.831
where: short stacking energy: -47.186
Base-Backbone interact. energy: -0.112
local terms energy: -59.075394
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -14.010
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -169.922336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.922336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.922336 (E_RNA)
where:
Base-Base interactions energy: -104.449
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.121
local terms energy: -65.352599
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -143.562753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.562753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.562753 (E_RNA)
where:
Base-Base interactions energy: -85.741
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.035
local terms energy: -57.786490
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -150.985143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.985143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.985143 (E_RNA)
where:
Base-Base interactions energy: -90.875
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.013
local terms energy: -60.097746
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -83.764457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.764457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.764457 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -27.870
Base-Backbone interact. energy: 0.823
local terms energy: -41.456355
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -73.389430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.389430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.389430 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.565
local terms energy: -41.781573
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: 3.111
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: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -90.754410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754410 (E_RNA)
where:
Base-Base interactions energy: -42.725
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.001
local terms energy: -48.028844
where:
bonds (distance) C4'-P energy: -8.106
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: 0.937
tors. eta vs tors. theta energy: -14.204
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: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -81.638517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.638517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.638517 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -35.772
Base-Backbone interact. energy: -0.007
local terms energy: -45.095970
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -72.151001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151001 (E_RNA)
where:
Base-Base interactions energy: -26.131
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.050
local terms energy: -45.969153
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -4.870
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: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -184.144791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.144791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.144791 (E_RNA)
where:
Base-Base interactions energy: -116.275
where: short stacking energy: -44.401
Base-Backbone interact. energy: -0.117
local terms energy: -67.752661
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -184.182218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.182218 (E_RNA)
where:
Base-Base interactions energy: -119.653
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.244
local terms energy: -64.285540
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -170.367805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.367805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.367805 (E_RNA)
where:
Base-Base interactions energy: -107.004
where: short stacking energy: -51.968
Base-Backbone interact. energy: -0.131
local terms energy: -63.233136
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -6.817
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -148.552589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.552589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.552589 (E_RNA)
where:
Base-Base interactions energy: -89.070
where: short stacking energy: -51.765
Base-Backbone interact. energy: -0.013
local terms energy: -59.470064
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.863
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: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -164.323100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.323100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.323100 (E_RNA)
where:
Base-Base interactions energy: -98.484
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.101
local terms energy: -65.737933
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -94.467053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.467053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.467053 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.006
local terms energy: -55.886905
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -94.716229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.716229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.716229 (E_RNA)
where:
Base-Base interactions energy: -51.401
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.339
local terms energy: -42.976617
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -104.978466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.978466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.978466 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -28.602
Base-Backbone interact. energy: 0.940
local terms energy: -50.424016
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -80.509363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509363 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -18.834
Base-Backbone interact. energy: -0.189
local terms energy: -41.865476
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -67.779935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.779935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.779935 (E_RNA)
where:
Base-Base interactions energy: -23.575
where: short stacking energy: -21.827
Base-Backbone interact. energy: 1.670
local terms energy: -45.874654
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -178.545863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.545863 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.185
local terms energy: -57.897360
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -170.852748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.852748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.852748 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -44.844
Base-Backbone interact. energy: -0.172
local terms energy: -64.153603
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -172.765219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.765219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.765219 (E_RNA)
where:
Base-Base interactions energy: -114.815
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.147
local terms energy: -57.802557
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -12.194
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: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -173.154168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.154168 (E_RNA)
where:
Base-Base interactions energy: -108.634
where: short stacking energy: -56.371
Base-Backbone interact. energy: -0.337
local terms energy: -64.182653
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.299
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -144.361993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.361993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.361993 (E_RNA)
where:
Base-Base interactions energy: -88.825
where: short stacking energy: -42.697
Base-Backbone interact. energy: 1.641
local terms energy: -57.177188
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -95.259833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.259833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.259833 (E_RNA)
where:
Base-Base interactions energy: -47.172
where: short stacking energy: -30.167
Base-Backbone interact. energy: 0.537
local terms energy: -48.624953
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -85.902050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.902050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.902050 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -36.950
Base-Backbone interact. energy: 0.205
local terms energy: -45.519947
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -104.761344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.761344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.761344 (E_RNA)
where:
Base-Base interactions energy: -58.240
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.141
local terms energy: -46.380475
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.224
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: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -86.763847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.763847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.763847 (E_RNA)
where:
Base-Base interactions energy: -50.014
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.310
local terms energy: -36.440287
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -67.280515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.280515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.280515 (E_RNA)
where:
Base-Base interactions energy: -22.183
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.346
local terms energy: -44.751270
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -179.671966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.671966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.671966 (E_RNA)
where:
Base-Base interactions energy: -109.180
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.809
local terms energy: -69.683806
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -172.387143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.387143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.387143 (E_RNA)
where:
Base-Base interactions energy: -109.745
where: short stacking energy: -47.778
Base-Backbone interact. energy: -1.212
local terms energy: -61.430363
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -169.869403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.869403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.869403 (E_RNA)
where:
Base-Base interactions energy: -109.331
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.888
local terms energy: -59.650831
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -163.521130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.521130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.521130 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.077
local terms energy: -64.290611
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -136.807390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.807390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.807390 (E_RNA)
where:
Base-Base interactions energy: -83.279
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.049
local terms energy: -53.478721
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -94.364622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.364622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.364622 (E_RNA)
where:
Base-Base interactions energy: -50.359
where: short stacking energy: -32.217
Base-Backbone interact. energy: -0.259
local terms energy: -43.746647
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -87.395404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395404 (E_RNA)
where:
Base-Base interactions energy: -40.365
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.008
local terms energy: -47.022238
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -82.875521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875521 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.029
local terms energy: -49.087482
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -4.666
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: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -91.522282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.522282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.522282 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -36.055
Base-Backbone interact. energy: -1.017
local terms energy: -54.450585
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -68.475549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.475549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.475549 (E_RNA)
where:
Base-Base interactions energy: -20.939
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.015
local terms energy: -47.520823
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -11.318
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: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -184.074425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.074425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.074425 (E_RNA)
where:
Base-Base interactions energy: -114.284
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.043
local terms energy: -69.747273
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -173.881405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.881405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.881405 (E_RNA)
where:
Base-Base interactions energy: -110.875
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.321
local terms energy: -62.685597
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -8.542
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: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -171.335708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.335708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.335708 (E_RNA)
where:
Base-Base interactions energy: -113.486
where: short stacking energy: -49.137
Base-Backbone interact. energy: -0.269
local terms energy: -57.580406
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -148.457807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.457807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.457807 (E_RNA)
where:
Base-Base interactions energy: -90.034
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.805
local terms energy: -57.618337
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -150.203428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.203428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.203428 (E_RNA)
where:
Base-Base interactions energy: -96.334
where: short stacking energy: -49.393
Base-Backbone interact. energy: -0.028
local terms energy: -53.841286
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -94.465663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.465663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.465663 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.235
local terms energy: -50.690219
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -89.164454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164454 (E_RNA)
where:
Base-Base interactions energy: -34.958
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.022
local terms energy: -54.184554
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -75.000956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.000956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.000956 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.053
local terms energy: -41.491046
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -80.431745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.431745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.431745 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.052
local terms energy: -45.567012
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -73.150421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150421 (E_RNA)
where:
Base-Base interactions energy: -27.392
where: short stacking energy: -27.392
Base-Backbone interact. energy: -0.063
local terms energy: -45.695476
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.313
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -175.898098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.898098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.898098 (E_RNA)
where:
Base-Base interactions energy: -120.810
where: short stacking energy: -39.600
Base-Backbone interact. energy: -0.778
local terms energy: -54.309350
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -180.750234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.750234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.750234 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.063
local terms energy: -64.754369
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -170.471376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.471376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.471376 (E_RNA)
where:
Base-Base interactions energy: -113.528
where: short stacking energy: -45.309
Base-Backbone interact. energy: -0.560
local terms energy: -56.383052
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -148.537781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.537781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.537781 (E_RNA)
where:
Base-Base interactions energy: -88.360
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.090
local terms energy: -60.088382
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -156.004515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.004515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.004515 (E_RNA)
where:
Base-Base interactions energy: -100.319
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.001
local terms energy: -55.684467
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -11.588
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: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -119.818642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.818642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.818642 (E_RNA)
where:
Base-Base interactions energy: -73.678
where: short stacking energy: -47.610
Base-Backbone interact. energy: -0.538
local terms energy: -45.601884
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -8.394
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: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -76.725789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.725789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.725789 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -33.532
Base-Backbone interact. energy: -0.108
local terms energy: -41.804721
where:
bonds (distance) C4'-P energy: -4.724
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -5.980
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: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -77.291859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.291859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.291859 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -28.542
Base-Backbone interact. energy: 0.080
local terms energy: -48.740880
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -9.254
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -75.141007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.141007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.141007 (E_RNA)
where:
Base-Base interactions energy: -24.996
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.129
local terms energy: -50.016291
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -70.786669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.786669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.786669 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -11.922
Base-Backbone interact. energy: -0.309
local terms energy: -39.111856
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -169.706437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.706437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.706437 (E_RNA)
where:
Base-Base interactions energy: -105.499
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.883
local terms energy: -63.324825
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -176.002480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.002480 (E_RNA)
where:
Base-Base interactions energy: -112.835
where: short stacking energy: -49.139
Base-Backbone interact. energy: -0.694
local terms energy: -62.473011
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -173.688902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.688902 (E_RNA)
where:
Base-Base interactions energy: -103.706
where: short stacking energy: -58.573
Base-Backbone interact. energy: -0.810
local terms energy: -69.172786
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -158.389299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.389299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.389299 (E_RNA)
where:
Base-Base interactions energy: -97.440
where: short stacking energy: -44.685
Base-Backbone interact. energy: -0.630
local terms energy: -60.318495
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -125.099926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.099926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.099926 (E_RNA)
where:
Base-Base interactions energy: -69.445
where: short stacking energy: -32.496
Base-Backbone interact. energy: -1.061
local terms energy: -54.594679
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -4.403
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: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -89.513827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.513827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.513827 (E_RNA)
where:
Base-Base interactions energy: -42.319
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.041
local terms energy: -47.153777
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -105.417078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.417078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.417078 (E_RNA)
where:
Base-Base interactions energy: -60.252
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.243
local terms energy: -44.922171
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -76.715456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.715456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.715456 (E_RNA)
where:
Base-Base interactions energy: -36.925
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.021
local terms energy: -39.769610
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -83.752730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752730 (E_RNA)
where:
Base-Base interactions energy: -35.707
where: short stacking energy: -35.707
Base-Backbone interact. energy: 0.926
local terms energy: -48.971908
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -70.465735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.465735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.465735 (E_RNA)
where:
Base-Base interactions energy: -23.631
where: short stacking energy: -19.271
Base-Backbone interact. energy: -1.072
local terms energy: -45.762898
where:
bonds (distance) C4'-P energy: -7.581
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -186.319004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.319004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.319004 (E_RNA)
where:
Base-Base interactions energy: -125.364
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.713
local terms energy: -60.242031
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -170.904864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.904864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.904864 (E_RNA)
where:
Base-Base interactions energy: -102.189
where: short stacking energy: -57.831
Base-Backbone interact. energy: 0.068
local terms energy: -68.784269
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -168.500813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.500813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.500813 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.185
local terms energy: -62.174416
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -152.060827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.060827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.060827 (E_RNA)
where:
Base-Base interactions energy: -94.753
where: short stacking energy: -52.820
Base-Backbone interact. energy: 0.232
local terms energy: -57.539367
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -111.863711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.863711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.863711 (E_RNA)
where:
Base-Base interactions energy: -60.848
where: short stacking energy: -27.312
Base-Backbone interact. energy: 1.246
local terms energy: -52.261950
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -9.134
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: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -81.385289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.385289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.385289 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -25.845
Base-Backbone interact. energy: -0.005
local terms energy: -55.535336
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -93.521972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521972 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -30.581
Base-Backbone interact. energy: 1.173
local terms energy: -57.220204
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -77.974197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.974197 (E_RNA)
where:
Base-Base interactions energy: -40.280
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.078
local terms energy: -37.616046
where:
bonds (distance) C4'-P energy: -5.460
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -88.094962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.094962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.094962 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -33.364
Base-Backbone interact. energy: -1.210
local terms energy: -53.521698
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -7.651
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -84.202813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.202813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.202813 (E_RNA)
where:
Base-Base interactions energy: -30.249
where: short stacking energy: -20.732
Base-Backbone interact. energy: -2.038
local terms energy: -51.915562
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -182.315894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.315894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.315894 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -56.818
Base-Backbone interact. energy: -1.387
local terms energy: -56.405676
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -171.651768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.651768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.651768 (E_RNA)
where:
Base-Base interactions energy: -106.773
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.018
local terms energy: -64.861425
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -175.933712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.933712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.933712 (E_RNA)
where:
Base-Base interactions energy: -110.156
where: short stacking energy: -50.534
Base-Backbone interact. energy: -0.073
local terms energy: -65.705157
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.581
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: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -152.983155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.983155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.983155 (E_RNA)
where:
Base-Base interactions energy: -91.681
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.311
local terms energy: -60.990546
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -138.326714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.326714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.326714 (E_RNA)
where:
Base-Base interactions energy: -84.750
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.082
local terms energy: -53.495275
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -94.207140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.207140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.207140 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.109
local terms energy: -51.121232
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -75.597244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.597244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.597244 (E_RNA)
where:
Base-Base interactions energy: -24.441
where: short stacking energy: -24.267
Base-Backbone interact. energy: -0.216
local terms energy: -50.939879
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -82.436169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436169 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -27.436
Base-Backbone interact. energy: -0.118
local terms energy: -52.956942
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -11.368
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: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -80.993964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993964 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -27.752
Base-Backbone interact. energy: -0.118
local terms energy: -46.158655
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -5.636
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.201197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201197 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -14.248
Base-Backbone interact. energy: -0.061
local terms energy: -51.175484
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.611
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: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -181.675595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675595 (E_RNA)
where:
Base-Base interactions energy: -115.446
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.753
local terms energy: -65.476494
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -11.047
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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -177.737987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.737987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.737987 (E_RNA)
where:
Base-Base interactions energy: -105.871
where: short stacking energy: -60.723
Base-Backbone interact. energy: 0.066
local terms energy: -71.933151
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -167.461675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.461675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.461675 (E_RNA)
where:
Base-Base interactions energy: -103.436
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.442
local terms energy: -63.584146
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -17.991
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -158.325149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.325149 (E_RNA)
where:
Base-Base interactions energy: -91.979
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.731
local terms energy: -65.615131
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -136.368912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.368912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.368912 (E_RNA)
where:
Base-Base interactions energy: -90.766
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.256
local terms energy: -45.346432
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -0.501
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -93.828753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.828753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.828753 (E_RNA)
where:
Base-Base interactions energy: -42.570
where: short stacking energy: -24.648
Base-Backbone interact. energy: -0.135
local terms energy: -51.124117
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -91.541762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.541762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.541762 (E_RNA)
where:
Base-Base interactions energy: -46.625
where: short stacking energy: -46.625
Base-Backbone interact. energy: -0.007
local terms energy: -44.909614
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -7.835
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -81.856073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.856073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.856073 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -28.205
Base-Backbone interact. energy: 1.950
local terms energy: -43.890472
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.045001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045001 (E_RNA)
where:
Base-Base interactions energy: -32.646
where: short stacking energy: -23.586
Base-Backbone interact. energy: -0.178
local terms energy: -49.221022
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -89.690405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.690405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.690405 (E_RNA)
where:
Base-Base interactions energy: -50.729
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.252
local terms energy: -38.709698
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -186.529431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.529431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.529431 (E_RNA)
where:
Base-Base interactions energy: -131.824
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.701
local terms energy: -54.004869
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -175.705589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.705589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.705589 (E_RNA)
where:
Base-Base interactions energy: -110.462
where: short stacking energy: -60.164
Base-Backbone interact. energy: -1.412
local terms energy: -63.831767
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -159.535984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.535984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.535984 (E_RNA)
where:
Base-Base interactions energy: -99.378
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.225
local terms energy: -59.933366
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -164.048597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.048597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.048597 (E_RNA)
where:
Base-Base interactions energy: -106.678
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.016
local terms energy: -57.354176
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -14.071
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: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -127.022588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.022588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.022588 (E_RNA)
where:
Base-Base interactions energy: -75.728
where: short stacking energy: -43.731
Base-Backbone interact. energy: -0.029
local terms energy: -51.265897
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -104.953827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.953827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.953827 (E_RNA)
where:
Base-Base interactions energy: -55.607
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.495
local terms energy: -48.852394
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -6.094
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: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -91.698736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698736 (E_RNA)
where:
Base-Base interactions energy: -58.223
where: short stacking energy: -38.110
Base-Backbone interact. energy: -0.199
local terms energy: -33.276283
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -83.954616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.954616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.954616 (E_RNA)
where:
Base-Base interactions energy: -36.578
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.012
local terms energy: -47.364837
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -79.169212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.169212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.169212 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -19.038
Base-Backbone interact. energy: 1.023
local terms energy: -45.059548
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -10.141
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: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -83.195602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195602 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -25.292
Base-Backbone interact. energy: -0.451
local terms energy: -47.706664
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -186.654115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.654115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.654115 (E_RNA)
where:
Base-Base interactions energy: -125.728
where: short stacking energy: -51.799
Base-Backbone interact. energy: 0.980
local terms energy: -61.906229
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -178.611536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.611536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.611536 (E_RNA)
where:
Base-Base interactions energy: -110.673
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.055
local terms energy: -67.883717
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -12.156
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: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -168.308209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.308209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.308209 (E_RNA)
where:
Base-Base interactions energy: -100.697
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.038
local terms energy: -67.573042
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -152.490290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.490290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.490290 (E_RNA)
where:
Base-Base interactions energy: -92.401
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.003
local terms energy: -60.086299
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -135.071676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.071676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.071676 (E_RNA)
where:
Base-Base interactions energy: -80.690
where: short stacking energy: -37.739
Base-Backbone interact. energy: -0.035
local terms energy: -54.346719
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -6.463
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: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -77.881068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.881068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.881068 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -25.648
Base-Backbone interact. energy: 1.029
local terms energy: -47.824438
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.924
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: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -76.992454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992454 (E_RNA)
where:
Base-Base interactions energy: -28.284
where: short stacking energy: -22.666
Base-Backbone interact. energy: -0.172
local terms energy: -48.535981
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -82.505056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.505056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.505056 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -21.686
Base-Backbone interact. energy: -0.157
local terms energy: -47.647461
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -0.861
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -72.150141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.150141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.150141 (E_RNA)
where:
Base-Base interactions energy: -21.809
where: short stacking energy: -19.639
Base-Backbone interact. energy: -0.244
local terms energy: -50.097282
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -71.378499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.378499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.378499 (E_RNA)
where:
Base-Base interactions energy: -25.747
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.338
local terms energy: -45.293347
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -181.873455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.873455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.873455 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.127
local terms energy: -60.832324
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -159.463402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.463402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.463402 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -43.459
Base-Backbone interact. energy: -1.200
local terms energy: -62.917066
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -176.393613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.393613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.393613 (E_RNA)
where:
Base-Base interactions energy: -106.936
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.417
local terms energy: -69.041012
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -160.146817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.146817 (E_RNA)
where:
Base-Base interactions energy: -102.096
where: short stacking energy: -41.937
Base-Backbone interact. energy: -0.466
local terms energy: -57.584982
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -125.853713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.853713 (E_RNA)
where:
Base-Base interactions energy: -68.168
where: short stacking energy: -34.512
Base-Backbone interact. energy: 1.215
local terms energy: -58.901122
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -89.652373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.652373 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.057
local terms energy: -52.169572
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -9.149
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -82.422844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422844 (E_RNA)
where:
Base-Base interactions energy: -22.568
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.100
local terms energy: -59.754512
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.525683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525683 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -26.247
Base-Backbone interact. energy: 0.401
local terms energy: -52.633614
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -74.674280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.674280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.674280 (E_RNA)
where:
Base-Base interactions energy: -27.178
where: short stacking energy: -23.266
Base-Backbone interact. energy: -0.039
local terms energy: -47.456975
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -69.686272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.686272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.686272 (E_RNA)
where:
Base-Base interactions energy: -28.816
where: short stacking energy: -16.754
Base-Backbone interact. energy: -0.137
local terms energy: -40.734016
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -9.795
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: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -177.382228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.382228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.382228 (E_RNA)
where:
Base-Base interactions energy: -114.868
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.712
local terms energy: -61.802399
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -178.509265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.509265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.509265 (E_RNA)
where:
Base-Base interactions energy: -107.082
where: short stacking energy: -52.666
Base-Backbone interact. energy: -0.297
local terms energy: -71.130704
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -173.544355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.544355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.544355 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -56.994
Base-Backbone interact. energy: -1.566
local terms energy: -63.246743
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -162.872112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.872112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.872112 (E_RNA)
where:
Base-Base interactions energy: -100.017
where: short stacking energy: -51.664
Base-Backbone interact. energy: -0.588
local terms energy: -62.267019
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -90.948514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.948514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.948514 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -39.337
Base-Backbone interact. energy: -0.118
local terms energy: -51.493486
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -88.686096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686096 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -22.655
Base-Backbone interact. energy: -0.333
local terms energy: -41.981287
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: 1.014
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: 370
Temperature: 1.200000
Total energy: -86.235891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235891 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -22.842
Base-Backbone interact. energy: 1.292
local terms energy: -53.649944
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -86.268248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268248 (E_RNA)
where:
Base-Base interactions energy: -39.732
where: short stacking energy: -25.008
Base-Backbone interact. energy: -0.170
local terms energy: -46.366011
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -11.230
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: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.493934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493934 (E_RNA)
where:
Base-Base interactions energy: -32.836
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.283
local terms energy: -46.374768
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -6.804
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -72.916250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.916250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.916250 (E_RNA)
where:
Base-Base interactions energy: -29.758
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.065
local terms energy: -43.093933
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -0.624
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: 371
Temperature: 0.900000
Total energy: -197.753425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.753425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.753425 (E_RNA)
where:
Base-Base interactions energy: -135.686
where: short stacking energy: -48.612
Base-Backbone interact. energy: -0.675
local terms energy: -61.391715
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -14.127
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: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -175.321516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.321516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.321516 (E_RNA)
where:
Base-Base interactions energy: -109.977
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.854
local terms energy: -64.489725
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -16.204
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: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -175.338552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.338552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.338552 (E_RNA)
where:
Base-Base interactions energy: -111.470
where: short stacking energy: -69.688
Base-Backbone interact. energy: -1.117
local terms energy: -62.751645
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -19.956
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: 371
Temperature: 1.050000
Total energy: -151.089636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.089636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.089636 (E_RNA)
where:
Base-Base interactions energy: -98.504
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.098
local terms energy: -52.487506
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -11.823
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: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -125.895748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.895748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.895748 (E_RNA)
where:
Base-Base interactions energy: -74.434
where: short stacking energy: -50.057
Base-Backbone interact. energy: -0.011
local terms energy: -51.451082
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -98.486025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.486025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.486025 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.107
local terms energy: -55.834943
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -90.499229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499229 (E_RNA)
where:
Base-Base interactions energy: -44.369
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.567
local terms energy: -45.563911
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -8.429
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -106.786257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.786257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.786257 (E_RNA)
where:
Base-Base interactions energy: -51.689
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.473
local terms energy: -54.623701
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -7.513
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: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -76.505430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.505430 (E_RNA)
where:
Base-Base interactions energy: -40.985
where: short stacking energy: -14.508
Base-Backbone interact. energy: 0.236
local terms energy: -35.756941
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -77.886031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.886031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.886031 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.061
local terms energy: -40.585817
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -182.238277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.238277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.238277 (E_RNA)
where:
Base-Base interactions energy: -112.557
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.843
local terms energy: -68.837513
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -184.710109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710109 (E_RNA)
where:
Base-Base interactions energy: -126.040
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.963
local terms energy: -57.707697
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -164.696038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.696038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.696038 (E_RNA)
where:
Base-Base interactions energy: -101.648
where: short stacking energy: -43.997
Base-Backbone interact. energy: -0.191
local terms energy: -62.857199
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -171.602338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.602338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.602338 (E_RNA)
where:
Base-Base interactions energy: -101.610
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.608
local terms energy: -69.383916
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -95.711780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.711780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.711780 (E_RNA)
where:
Base-Base interactions energy: -43.042
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.010
local terms energy: -52.659569
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -74.470866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.470866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.470866 (E_RNA)
where:
Base-Base interactions energy: -26.582
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.180
local terms energy: -47.709389
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.510
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: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -90.946753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.946753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.946753 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -24.137
Base-Backbone interact. energy: -0.663
local terms energy: -51.917333
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -6.952
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: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -72.118959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.118959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.118959 (E_RNA)
where:
Base-Base interactions energy: -25.775
where: short stacking energy: -25.450
Base-Backbone interact. energy: -0.024
local terms energy: -46.320030
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -75.386533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.386533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.386533 (E_RNA)
where:
Base-Base interactions energy: -37.679
where: short stacking energy: -21.722
Base-Backbone interact. energy: -0.057
local terms energy: -37.650255
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -73.081063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.081063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.081063 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -24.970
Base-Backbone interact. energy: -0.048
local terms energy: -40.686325
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -171.471729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471729 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.086
local terms energy: -64.207541
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -187.280875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.280875 (E_RNA)
where:
Base-Base interactions energy: -126.024
where: short stacking energy: -43.692
Base-Backbone interact. energy: -0.034
local terms energy: -61.222565
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -6.828
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: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -169.425663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.425663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.425663 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.823
local terms energy: -54.780783
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -159.576430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.576430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.576430 (E_RNA)
where:
Base-Base interactions energy: -102.734
where: short stacking energy: -47.880
Base-Backbone interact. energy: -1.115
local terms energy: -55.726853
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -9.850
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: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -92.848439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.848439 (E_RNA)
where:
Base-Base interactions energy: -37.208
where: short stacking energy: -33.340
Base-Backbone interact. energy: -1.120
local terms energy: -54.520603
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -97.356880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.356880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.356880 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.177
local terms energy: -56.966519
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.756
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: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -88.109035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109035 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -32.748
Base-Backbone interact. energy: 0.009
local terms energy: -54.753385
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -74.680102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.680102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.680102 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -17.172
Base-Backbone interact. energy: -0.914
local terms energy: -42.949596
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -80.565172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.565172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.565172 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -27.147
Base-Backbone interact. energy: -0.048
local terms energy: -53.036093
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -5.595
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: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -70.725669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.725669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.725669 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -13.868
Base-Backbone interact. energy: -0.147
local terms energy: -44.770961
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.225
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: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -177.667552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.667552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.667552 (E_RNA)
where:
Base-Base interactions energy: -108.695
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.236
local terms energy: -68.736206
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -167.341429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.341429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.341429 (E_RNA)
where:
Base-Base interactions energy: -108.272
where: short stacking energy: -51.371
Base-Backbone interact. energy: -1.201
local terms energy: -57.868408
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -178.593651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593651 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.063
local terms energy: -70.046289
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -163.785551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.785551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.785551 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -44.774
Base-Backbone interact. energy: -0.020
local terms energy: -54.519651
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -94.550739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.550739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.550739 (E_RNA)
where:
Base-Base interactions energy: -49.757
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.945
local terms energy: -43.849399
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -2.903
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: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -86.487016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.487016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.487016 (E_RNA)
where:
Base-Base interactions energy: -39.773
where: short stacking energy: -35.628
Base-Backbone interact. energy: -0.362
local terms energy: -46.351987
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -86.497968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497968 (E_RNA)
where:
Base-Base interactions energy: -29.108
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.378
local terms energy: -57.011479
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.193
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: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -84.539892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.539892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.539892 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.027
local terms energy: -48.865420
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -79.608432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.608432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.608432 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -22.674
Base-Backbone interact. energy: 0.162
local terms energy: -42.696105
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -63.979200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.979200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.979200 (E_RNA)
where:
Base-Base interactions energy: -22.836
where: short stacking energy: -18.042
Base-Backbone interact. energy: 1.511
local terms energy: -42.653549
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -175.594044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.594044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.594044 (E_RNA)
where:
Base-Base interactions energy: -113.540
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.492
local terms energy: -61.561835
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -174.348602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.348602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.348602 (E_RNA)
where:
Base-Base interactions energy: -106.431
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.402
local terms energy: -67.515737
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -176.667411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.667411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.667411 (E_RNA)
where:
Base-Base interactions energy: -111.594
where: short stacking energy: -42.495
Base-Backbone interact. energy: -1.630
local terms energy: -63.443091
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -13.018
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: 375
Temperature: 1.050000
Total energy: -132.341135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.341135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.341135 (E_RNA)
where:
Base-Base interactions energy: -72.901
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.051
local terms energy: -59.389362
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.768
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: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -160.719298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.719298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.719298 (E_RNA)
where:
Base-Base interactions energy: -106.772
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.212
local terms energy: -53.735594
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -5.189
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: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -85.654071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654071 (E_RNA)
where:
Base-Base interactions energy: -41.854
where: short stacking energy: -31.241
Base-Backbone interact. energy: 0.005
local terms energy: -43.804640
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -4.032
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: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -86.280680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.280680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.280680 (E_RNA)
where:
Base-Base interactions energy: -48.123
where: short stacking energy: -33.513
Base-Backbone interact. energy: -0.092
local terms energy: -38.066027
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -6.399
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -111.501439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.501439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.501439 (E_RNA)
where:
Base-Base interactions energy: -64.197
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.176
local terms energy: -47.128017
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -2.093
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -71.398228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.398228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.398228 (E_RNA)
where:
Base-Base interactions energy: -25.903
where: short stacking energy: -26.671
Base-Backbone interact. energy: -0.158
local terms energy: -45.337830
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -11.524
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: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -74.384452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.384452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.384452 (E_RNA)
where:
Base-Base interactions energy: -25.289
where: short stacking energy: -20.424
Base-Backbone interact. energy: -0.069
local terms energy: -49.026741
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -177.270445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.270445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.270445 (E_RNA)
where:
Base-Base interactions energy: -113.748
where: short stacking energy: -50.467
Base-Backbone interact. energy: -0.577
local terms energy: -62.946034
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -177.606560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.606560 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -51.056
Base-Backbone interact. energy: -0.154
local terms energy: -65.793692
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -180.129012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.129012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.129012 (E_RNA)
where:
Base-Base interactions energy: -120.601
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.505
local terms energy: -59.022808
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -4.184
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -127.533724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.533724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.533724 (E_RNA)
where:
Base-Base interactions energy: -71.344
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.020
local terms energy: -56.170009
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -157.443027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.443027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.443027 (E_RNA)
where:
Base-Base interactions energy: -99.962
where: short stacking energy: -45.633
Base-Backbone interact. energy: -0.442
local terms energy: -57.039029
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -97.734121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734121 (E_RNA)
where:
Base-Base interactions energy: -45.218
where: short stacking energy: -45.165
Base-Backbone interact. energy: -0.003
local terms energy: -52.513141
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -129.705180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.705180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.705180 (E_RNA)
where:
Base-Base interactions energy: -75.852
where: short stacking energy: -22.236
Base-Backbone interact. energy: -0.746
local terms energy: -53.107237
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -5.409
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: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -86.300776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300776 (E_RNA)
where:
Base-Base interactions energy: -35.609
where: short stacking energy: -34.918
Base-Backbone interact. energy: -0.082
local terms energy: -50.609002
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -6.046
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: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -72.201433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.201433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.201433 (E_RNA)
where:
Base-Base interactions energy: -22.863
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.003
local terms energy: -49.335967
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -70.175805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.175805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.175805 (E_RNA)
where:
Base-Base interactions energy: -26.230
where: short stacking energy: -26.230
Base-Backbone interact. energy: -0.111
local terms energy: -43.834871
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -181.108890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.108890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.108890 (E_RNA)
where:
Base-Base interactions energy: -115.118
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.581
local terms energy: -65.409707
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -14.065
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: 377
Temperature: 0.950000
Total energy: -184.864000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.864000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.864000 (E_RNA)
where:
Base-Base interactions energy: -113.198
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.555
local terms energy: -71.111065
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -168.733776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.733776 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.074
local terms energy: -59.365124
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -168.974262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.974262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.974262 (E_RNA)
where:
Base-Base interactions energy: -102.557
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.613
local terms energy: -65.804073
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -118.532255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.532255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.532255 (E_RNA)
where:
Base-Base interactions energy: -61.336
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.007
local terms energy: -57.189058
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -8.254
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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -143.104445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104445 (E_RNA)
where:
Base-Base interactions energy: -83.289
where: short stacking energy: -35.620
Base-Backbone interact. energy: -1.238
local terms energy: -58.577584
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -82.372980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.372980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.372980 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.330
local terms energy: -44.603115
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -1.125
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -93.540261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.540261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.540261 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -36.973
Base-Backbone interact. energy: 0.010
local terms energy: -56.577559
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -69.801584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.801584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.801584 (E_RNA)
where:
Base-Base interactions energy: -21.294
where: short stacking energy: -16.658
Base-Backbone interact. energy: -0.930
local terms energy: -47.577998
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -73.905919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.905919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.905919 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -22.674
Base-Backbone interact. energy: -0.016
local terms energy: -47.056451
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -4.898
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -183.532065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.532065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.532065 (E_RNA)
where:
Base-Base interactions energy: -118.252
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.155
local terms energy: -65.125017
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.758
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: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -179.349749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.349749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.349749 (E_RNA)
where:
Base-Base interactions energy: -114.908
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.013
local terms energy: -64.428357
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -164.522984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.522984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.522984 (E_RNA)
where:
Base-Base interactions energy: -104.654
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.631
local terms energy: -59.238306
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -158.775751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.775751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.775751 (E_RNA)
where:
Base-Base interactions energy: -106.587
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.664
local terms energy: -51.524253
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -12.500
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -152.951169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951169 (E_RNA)
where:
Base-Base interactions energy: -99.721
where: short stacking energy: -41.083
Base-Backbone interact. energy: -1.112
local terms energy: -52.117665
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -117.859278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.859278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.859278 (E_RNA)
where:
Base-Base interactions energy: -60.968
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.013
local terms energy: -56.878459
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -93.848137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848137 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -40.037
Base-Backbone interact. energy: -0.132
local terms energy: -53.679412
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -15.305
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: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -78.459837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.459837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.459837 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -25.663
Base-Backbone interact. energy: -0.073
local terms energy: -48.194750
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -7.567
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: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -78.863019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863019 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.198
local terms energy: -46.189291
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -63.665827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.665827 (E_RNA)
where:
Base-Base interactions energy: -23.403
where: short stacking energy: -22.890
Base-Backbone interact. energy: 1.375
local terms energy: -41.637813
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -178.647923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.647923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.647923 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.007
local terms energy: -66.493250
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -174.493496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493496 (E_RNA)
where:
Base-Base interactions energy: -108.832
where: short stacking energy: -52.265
Base-Backbone interact. energy: 0.131
local terms energy: -65.792826
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -14.313
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: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -172.614906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.614906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.614906 (E_RNA)
where:
Base-Base interactions energy: -109.704
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.014
local terms energy: -62.896237
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -160.413073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.413073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.413073 (E_RNA)
where:
Base-Base interactions energy: -94.828
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.465
local terms energy: -65.119996
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -150.795109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.795109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.795109 (E_RNA)
where:
Base-Base interactions energy: -93.032
where: short stacking energy: -49.137
Base-Backbone interact. energy: -0.335
local terms energy: -57.428258
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -105.039797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.039797 (E_RNA)
where:
Base-Base interactions energy: -58.844
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.505
local terms energy: -45.690566
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -6.847
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: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -88.213387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213387 (E_RNA)
where:
Base-Base interactions energy: -52.218
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.117
local terms energy: -35.878454
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: 3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -80.147601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.147601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.147601 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.013
local terms energy: -49.226600
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -8.356
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: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -77.078910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078910 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.402
local terms energy: -49.631964
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -69.147360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.147360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.147360 (E_RNA)
where:
Base-Base interactions energy: -24.001
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.141
local terms energy: -45.005037
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -0.236
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -169.783924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.783924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.783924 (E_RNA)
where:
Base-Base interactions energy: -106.026
where: short stacking energy: -43.692
Base-Backbone interact. energy: -1.266
local terms energy: -62.491799
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -180.416963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.416963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.416963 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.027
local terms energy: -63.445362
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -159.744639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.744639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.744639 (E_RNA)
where:
Base-Base interactions energy: -98.232
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.127
local terms energy: -61.385723
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -171.451811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.451811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.451811 (E_RNA)
where:
Base-Base interactions energy: -105.694
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.634
local terms energy: -65.124445
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -144.101514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.101514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101514 (E_RNA)
where:
Base-Base interactions energy: -89.027
where: short stacking energy: -50.546
Base-Backbone interact. energy: -0.666
local terms energy: -54.407693
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -2.393
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -92.387199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387199 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.039
local terms energy: -55.472001
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -78.439213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.439213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.439213 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.055
local terms energy: -47.789838
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -92.035921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.035921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.035921 (E_RNA)
where:
Base-Base interactions energy: -45.193
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.311
local terms energy: -46.532007
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -73.733433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.733433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.733433 (E_RNA)
where:
Base-Base interactions energy: -34.379
where: short stacking energy: -26.231
Base-Backbone interact. energy: -0.257
local terms energy: -39.097330
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -67.534264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.534264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.534264 (E_RNA)
where:
Base-Base interactions energy: -19.280
where: short stacking energy: -19.280
Base-Backbone interact. energy: -0.084
local terms energy: -48.169997
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -6.882
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -172.877506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.877506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.877506 (E_RNA)
where:
Base-Base interactions energy: -109.129
where: short stacking energy: -53.885
Base-Backbone interact. energy: 0.017
local terms energy: -63.765198
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.702
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: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -182.567389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567389 (E_RNA)
where:
Base-Base interactions energy: -116.576
where: short stacking energy: -60.993
Base-Backbone interact. energy: -0.480
local terms energy: -65.511581
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -162.232139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.232139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.232139 (E_RNA)
where:
Base-Base interactions energy: -97.728
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.309
local terms energy: -64.194797
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -130.214944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.214944 (E_RNA)
where:
Base-Base interactions energy: -74.970
where: short stacking energy: -38.831
Base-Backbone interact. energy: 0.062
local terms energy: -55.307432
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -155.589677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.589677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.589677 (E_RNA)
where:
Base-Base interactions energy: -90.388
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.593
local terms energy: -64.608978
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -81.854980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.854980 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.076
local terms energy: -47.068135
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -8.916
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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -83.270507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.270507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.270507 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.080
local terms energy: -46.928118
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -6.972
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: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -88.810517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.810517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.810517 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.094
local terms energy: -49.172280
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -74.962387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.962387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.962387 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.034
local terms energy: -42.597696
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -7.902
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: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.372073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.372073 (E_RNA)
where:
Base-Base interactions energy: -29.182
where: short stacking energy: -29.059
Base-Backbone interact. energy: 0.149
local terms energy: -47.339530
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -170.080686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.080686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.080686 (E_RNA)
where:
Base-Base interactions energy: -99.072
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.065
local terms energy: -70.944218
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -15.213
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: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -183.739197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.739197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.739197 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.001
local terms energy: -72.959972
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -138.331805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.331805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.331805 (E_RNA)
where:
Base-Base interactions energy: -70.144
where: short stacking energy: -42.812
Base-Backbone interact. energy: -0.791
local terms energy: -67.396662
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -10.422
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: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -165.476683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.476683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.476683 (E_RNA)
where:
Base-Base interactions energy: -101.477
where: short stacking energy: -51.822
Base-Backbone interact. energy: -0.796
local terms energy: -63.203529
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.394
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -79.001495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.001495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.001495 (E_RNA)
where:
Base-Base interactions energy: -26.312
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.089
local terms energy: -52.600020
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -161.308312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.308312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.308312 (E_RNA)
where:
Base-Base interactions energy: -98.437
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.105
local terms energy: -62.766599
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -95.276345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.276345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.276345 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -25.242
Base-Backbone interact. energy: -1.117
local terms energy: -44.050667
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -71.515814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.515814 (E_RNA)
where:
Base-Base interactions energy: -20.940
where: short stacking energy: -20.854
Base-Backbone interact. energy: -0.100
local terms energy: -50.475668
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -1.865
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: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -84.647179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647179 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -12.407
Base-Backbone interact. energy: 1.058
local terms energy: -45.799165
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.939009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939009 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.141
local terms energy: -46.039891
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -7.162
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -168.953447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953447 (E_RNA)
where:
Base-Base interactions energy: -104.412
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.021
local terms energy: -64.521131
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -180.039912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.039912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.039912 (E_RNA)
where:
Base-Base interactions energy: -117.167
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.624
local terms energy: -62.248417
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -138.691288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.691288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.691288 (E_RNA)
where:
Base-Base interactions energy: -78.334
where: short stacking energy: -46.474
Base-Backbone interact. energy: -0.217
local terms energy: -60.140270
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -175.124223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.124223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.124223 (E_RNA)
where:
Base-Base interactions energy: -104.629
where: short stacking energy: -60.122
Base-Backbone interact. energy: 0.281
local terms energy: -70.776833
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -100.789874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.789874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.789874 (E_RNA)
where:
Base-Base interactions energy: -47.545
where: short stacking energy: -38.440
Base-Backbone interact. energy: -0.113
local terms energy: -53.131890
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -147.331684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.331684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.331684 (E_RNA)
where:
Base-Base interactions energy: -90.077
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.120
local terms energy: -57.134638
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -115.394774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.394774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.394774 (E_RNA)
where:
Base-Base interactions energy: -66.514
where: short stacking energy: -24.779
Base-Backbone interact. energy: -0.171
local terms energy: -48.709943
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -68.707430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.707430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.707430 (E_RNA)
where:
Base-Base interactions energy: -23.396
where: short stacking energy: -23.396
Base-Backbone interact. energy: -0.019
local terms energy: -45.292674
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -80.780281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.780281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.780281 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -24.119
Base-Backbone interact. energy: -1.927
local terms energy: -39.716366
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -70.260009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.260009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.260009 (E_RNA)
where:
Base-Base interactions energy: -20.743
where: short stacking energy: -20.743
Base-Backbone interact. energy: -0.075
local terms energy: -49.441845
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -184.900372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.900372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.900372 (E_RNA)
where:
Base-Base interactions energy: -115.200
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.002
local terms energy: -69.699268
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -174.168937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.168937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.168937 (E_RNA)
where:
Base-Base interactions energy: -108.368
where: short stacking energy: -52.762
Base-Backbone interact. energy: -0.003
local terms energy: -65.798253
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -169.526949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.526949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.526949 (E_RNA)
where:
Base-Base interactions energy: -106.972
where: short stacking energy: -45.969
Base-Backbone interact. energy: -0.089
local terms energy: -62.466137
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -136.009848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.009848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.009848 (E_RNA)
where:
Base-Base interactions energy: -86.397
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.519
local terms energy: -49.093800
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -153.765048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.765048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.765048 (E_RNA)
where:
Base-Base interactions energy: -94.757
where: short stacking energy: -42.284
Base-Backbone interact. energy: 0.642
local terms energy: -59.649632
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -98.521569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.521569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.521569 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -34.251
Base-Backbone interact. energy: 0.569
local terms energy: -59.193823
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.452
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: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -77.687795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687795 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.107
local terms energy: -45.253721
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -81.638526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.638526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.638526 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -36.115
Base-Backbone interact. energy: -0.179
local terms energy: -45.304578
where:
bonds (distance) C4'-P energy: -7.303
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.219
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: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -86.145522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.145522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.145522 (E_RNA)
where:
Base-Base interactions energy: -43.285
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.001
local terms energy: -42.859366
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -8.294
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -9.985
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: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -63.867756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.867756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.867756 (E_RNA)
where:
Base-Base interactions energy: -22.566
where: short stacking energy: -11.190
Base-Backbone interact. energy: -0.238
local terms energy: -41.063297
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -182.371335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.371335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.371335 (E_RNA)
where:
Base-Base interactions energy: -110.950
where: short stacking energy: -64.843
Base-Backbone interact. energy: -0.593
local terms energy: -70.827883
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -185.249110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.249110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.249110 (E_RNA)
where:
Base-Base interactions energy: -118.319
where: short stacking energy: -62.814
Base-Backbone interact. energy: 0.591
local terms energy: -67.521257
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -166.645377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.645377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.645377 (E_RNA)
where:
Base-Base interactions energy: -101.295
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.664
local terms energy: -64.686729
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -161.306744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.306744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.306744 (E_RNA)
where:
Base-Base interactions energy: -92.551
where: short stacking energy: -48.621
Base-Backbone interact. energy: 0.350
local terms energy: -69.105541
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -139.017849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.017849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.017849 (E_RNA)
where:
Base-Base interactions energy: -90.840
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.033
local terms energy: -48.145112
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -9.856
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: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -85.497719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.497719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.497719 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -32.552
Base-Backbone interact. energy: 1.614
local terms energy: -54.559707
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -101.987159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.987159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.987159 (E_RNA)
where:
Base-Base interactions energy: -48.993
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.259
local terms energy: -52.734911
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.075
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: 385
Temperature: 1.250000
Total energy: -82.725010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.725010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.725010 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -16.966
Base-Backbone interact. energy: -0.468
local terms energy: -48.246539
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -83.356745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356745 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.144
local terms energy: -53.374580
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -5.406
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: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -75.757687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.757687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.757687 (E_RNA)
where:
Base-Base interactions energy: -33.943
where: short stacking energy: -33.384
Base-Backbone interact. energy: -0.330
local terms energy: -41.484871
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -197.130619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.130619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.130619 (E_RNA)
where:
Base-Base interactions energy: -125.833
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.426
local terms energy: -70.872007
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -173.965605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.965605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.965605 (E_RNA)
where:
Base-Base interactions energy: -110.645
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.136
local terms energy: -63.185124
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -20.190
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: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -168.401390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.401390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.401390 (E_RNA)
where:
Base-Base interactions energy: -101.596
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.000
local terms energy: -66.804672
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -165.695428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.695428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.695428 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.398
local terms energy: -53.244802
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -139.803107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.803107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.803107 (E_RNA)
where:
Base-Base interactions energy: -87.536
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.355
local terms energy: -51.911791
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -7.846
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: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -91.988243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.988243 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -36.912
Base-Backbone interact. energy: -0.060
local terms energy: -55.016017
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -10.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -81.897623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897623 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -29.463
Base-Backbone interact. energy: 0.150
local terms energy: -37.577148
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: 5.079
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -72.653004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.653004 (E_RNA)
where:
Base-Base interactions energy: -22.820
where: short stacking energy: -22.820
Base-Backbone interact. energy: -0.096
local terms energy: -49.737074
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -74.199289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.199289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.199289 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -16.730
Base-Backbone interact. energy: -0.105
local terms energy: -50.830988
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -69.116459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.116459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.116459 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.551
local terms energy: -39.947419
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -8.934
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -184.113085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.113085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.113085 (E_RNA)
where:
Base-Base interactions energy: -117.283
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.323
local terms energy: -66.507431
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -183.714757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.714757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.714757 (E_RNA)
where:
Base-Base interactions energy: -118.570
where: short stacking energy: -48.495
Base-Backbone interact. energy: -1.692
local terms energy: -63.451965
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -171.668185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.668185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.668185 (E_RNA)
where:
Base-Base interactions energy: -103.949
where: short stacking energy: -50.753
Base-Backbone interact. energy: -0.052
local terms energy: -67.667324
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -167.792771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.792771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.792771 (E_RNA)
where:
Base-Base interactions energy: -105.504
where: short stacking energy: -47.894
Base-Backbone interact. energy: -0.001
local terms energy: -62.286960
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.691
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -144.883961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.883961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.883961 (E_RNA)
where:
Base-Base interactions energy: -88.979
where: short stacking energy: -39.918
Base-Backbone interact. energy: -0.198
local terms energy: -55.706859
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -4.945
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -92.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275480 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.246
local terms energy: -57.305483
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.024
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: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -99.162045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.162045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.162045 (E_RNA)
where:
Base-Base interactions energy: -55.018
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.020
local terms energy: -44.124644
where:
bonds (distance) C4'-P energy: -4.770
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -67.872579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.872579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.872579 (E_RNA)
where:
Base-Base interactions energy: -26.667
where: short stacking energy: -22.306
Base-Backbone interact. energy: 1.952
local terms energy: -43.157418
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -1.305
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: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -71.423562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.423562 (E_RNA)
where:
Base-Base interactions energy: -20.524
where: short stacking energy: -19.663
Base-Backbone interact. energy: -0.044
local terms energy: -50.855516
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -6.198
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: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -67.048323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.048323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.048323 (E_RNA)
where:
Base-Base interactions energy: -18.447
where: short stacking energy: -10.780
Base-Backbone interact. energy: -0.543
local terms energy: -48.058153
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -9.456
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: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -188.463744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.463744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463744 (E_RNA)
where:
Base-Base interactions energy: -120.714
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.146
local terms energy: -67.603781
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -184.657855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.657855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.657855 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.289
local terms energy: -62.967522
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.309
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -168.579290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.579290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.579290 (E_RNA)
where:
Base-Base interactions energy: -105.709
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.526
local terms energy: -62.344257
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -13.295
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: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -166.999754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.999754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.999754 (E_RNA)
where:
Base-Base interactions energy: -103.477
where: short stacking energy: -61.784
Base-Backbone interact. energy: -1.350
local terms energy: -62.172822
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -148.994072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.994072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.994072 (E_RNA)
where:
Base-Base interactions energy: -88.316
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.005
local terms energy: -60.673007
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -108.076046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076046 (E_RNA)
where:
Base-Base interactions energy: -53.258
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.659
local terms energy: -54.158338
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -83.069267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.069267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.069267 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.503
local terms energy: -49.027439
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.439
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: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -73.865193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.865193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.865193 (E_RNA)
where:
Base-Base interactions energy: -27.919
where: short stacking energy: -26.097
Base-Backbone interact. energy: -0.110
local terms energy: -45.836659
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -80.430827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.430827 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.260
local terms energy: -49.957560
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.506420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.506420 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -34.371
Base-Backbone interact. energy: 0.677
local terms energy: -40.812452
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.209
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: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -183.025996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.025996 (E_RNA)
where:
Base-Base interactions energy: -116.121
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.003
local terms energy: -66.902592
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -16.384
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: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -181.619488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.619488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.619488 (E_RNA)
where:
Base-Base interactions energy: -120.505
where: short stacking energy: -49.346
Base-Backbone interact. energy: -1.002
local terms energy: -60.112183
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -181.255176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.255176 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -51.837
Base-Backbone interact. energy: -1.159
local terms energy: -63.613390
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -13.783
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: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -174.972519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.972519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.972519 (E_RNA)
where:
Base-Base interactions energy: -109.990
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.249
local terms energy: -64.733092
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -150.841943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.841943 (E_RNA)
where:
Base-Base interactions energy: -89.558
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.063
local terms energy: -61.220621
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -12.361
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: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -91.977600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.977600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.977600 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.104
local terms energy: -48.486275
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -72.322519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.322519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.322519 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -25.495
Base-Backbone interact. energy: -0.213
local terms energy: -44.283428
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -84.074908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.074908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.074908 (E_RNA)
where:
Base-Base interactions energy: -32.159
where: short stacking energy: -32.159
Base-Backbone interact. energy: -0.183
local terms energy: -51.733219
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -86.426011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.426011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.426011 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.328
local terms energy: -41.781452
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -70.328160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.328160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.328160 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.286
local terms energy: -42.443821
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -11.308
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -183.279710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.279710 (E_RNA)
where:
Base-Base interactions energy: -116.384
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.127
local terms energy: -66.769247
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -13.816
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: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -187.536313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.536313 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.150
local terms energy: -72.610455
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -173.964081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.964081 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -56.964
Base-Backbone interact. energy: 0.116
local terms energy: -62.780248
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -172.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.411975 (E_RNA)
where:
Base-Base interactions energy: -104.706
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.321
local terms energy: -67.385301
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -7.928
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: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -139.939928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.939928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.939928 (E_RNA)
where:
Base-Base interactions energy: -88.027
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.168
local terms energy: -51.744616
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.615
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -95.283392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283392 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.011
local terms energy: -56.219550
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -81.755089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.755089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.755089 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.135
local terms energy: -42.908741
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -5.498
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: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -84.792499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.792499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.792499 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -30.016
Base-Backbone interact. energy: -0.180
local terms energy: -49.551480
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.195
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: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -77.801250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.801250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.801250 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -18.796
Base-Backbone interact. energy: -0.331
local terms energy: -47.496463
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -71.369954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.369954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.369954 (E_RNA)
where:
Base-Base interactions energy: -28.813
where: short stacking energy: -14.109
Base-Backbone interact. energy: 0.036
local terms energy: -42.592570
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -183.742085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.742085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.742085 (E_RNA)
where:
Base-Base interactions energy: -117.270
where: short stacking energy: -60.203
Base-Backbone interact. energy: 0.067
local terms energy: -66.538531
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -175.578468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.578468 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.090
local terms energy: -65.399699
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -171.567076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.567076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.567076 (E_RNA)
where:
Base-Base interactions energy: -111.816
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.003
local terms energy: -59.748606
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -131.758253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.758253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.758253 (E_RNA)
where:
Base-Base interactions energy: -83.182
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.369
local terms energy: -48.207157
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -11.165
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: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -162.115682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.115682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.115682 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -48.323
Base-Backbone interact. energy: -0.973
local terms energy: -60.027786
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -88.864602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.864602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.864602 (E_RNA)
where:
Base-Base interactions energy: -33.075
where: short stacking energy: -30.508
Base-Backbone interact. energy: 0.066
local terms energy: -55.856245
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -4.606
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -84.130859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130859 (E_RNA)
where:
Base-Base interactions energy: -39.941
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.277
local terms energy: -43.913323
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -3.403
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -73.407570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.407570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.407570 (E_RNA)
where:
Base-Base interactions energy: -30.435
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.124
local terms energy: -42.848370
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -4.546
flat angles P-C4'-P energy: -10.422
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -76.341162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.341162 (E_RNA)
where:
Base-Base interactions energy: -29.104
where: short stacking energy: -27.662
Base-Backbone interact. energy: 0.506
local terms energy: -47.743257
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -4.237
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: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -84.838789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.838789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.838789 (E_RNA)
where:
Base-Base interactions energy: -42.174
where: short stacking energy: -21.507
Base-Backbone interact. energy: 0.377
local terms energy: -43.041653
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -184.767648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.767648 (E_RNA)
where:
Base-Base interactions energy: -116.037
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.648
local terms energy: -68.082196
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -175.187848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.187848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.187848 (E_RNA)
where:
Base-Base interactions energy: -111.023
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.757
local terms energy: -63.408323
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -147.119032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.119032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.119032 (E_RNA)
where:
Base-Base interactions energy: -86.746
where: short stacking energy: -49.896
Base-Backbone interact. energy: -0.074
local terms energy: -60.299150
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -166.497169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.497169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.497169 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.091
local terms energy: -59.943559
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -163.718861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.718861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.718861 (E_RNA)
where:
Base-Base interactions energy: -100.384
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.220
local terms energy: -63.115064
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -8.222
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: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -87.718860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.718860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.718860 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.100
local terms energy: -54.488959
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -83.103701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.103701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.103701 (E_RNA)
where:
Base-Base interactions energy: -34.238
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.069
local terms energy: -48.797013
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -5.021
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: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -77.929625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.929625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.929625 (E_RNA)
where:
Base-Base interactions energy: -24.708
where: short stacking energy: -23.239
Base-Backbone interact. energy: -0.140
local terms energy: -53.081457
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -6.789
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -73.205210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.205210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.205210 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.102
local terms energy: -42.705584
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -5.135
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: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -69.273995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.273995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.273995 (E_RNA)
where:
Base-Base interactions energy: -21.137
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.617
local terms energy: -47.520198
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -4.300
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: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -170.858176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.858176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.858176 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.295
local terms energy: -58.574396
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -152.983448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.983448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.983448 (E_RNA)
where:
Base-Base interactions energy: -91.879
where: short stacking energy: -48.916
Base-Backbone interact. energy: -0.161
local terms energy: -60.943407
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -164.717820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.717820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.717820 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -43.753
Base-Backbone interact. energy: -0.987
local terms energy: -48.946596
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -158.918095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.918095 (E_RNA)
where:
Base-Base interactions energy: -99.190
where: short stacking energy: -45.512
Base-Backbone interact. energy: -0.081
local terms energy: -59.646733
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -159.191836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.191836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.191836 (E_RNA)
where:
Base-Base interactions energy: -104.310
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.191
local terms energy: -54.691294
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -88.172133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172133 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -31.636
Base-Backbone interact. energy: 0.678
local terms energy: -56.632534
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -79.503976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503976 (E_RNA)
where:
Base-Base interactions energy: -40.653
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.785
local terms energy: -38.066783
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -7.181
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: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -73.806635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.806635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.806635 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -20.011
Base-Backbone interact. energy: -0.230
local terms energy: -41.976789
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -83.959046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.959046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.959046 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -17.574
Base-Backbone interact. energy: -0.563
local terms energy: -43.924632
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -0.900
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: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -78.819665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.819665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.819665 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -22.231
Base-Backbone interact. energy: -0.358
local terms energy: -50.482617
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -181.520873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.520873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.520873 (E_RNA)
where:
Base-Base interactions energy: -114.071
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.001
local terms energy: -67.449493
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.554
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: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -159.687693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.687693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.687693 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.307
local terms energy: -67.945216
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -158.943717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.943717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.943717 (E_RNA)
where:
Base-Base interactions energy: -109.209
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.613
local terms energy: -49.121728
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -165.613362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613362 (E_RNA)
where:
Base-Base interactions energy: -107.063
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.492
local terms energy: -58.058035
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.046
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: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -152.462004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.462004 (E_RNA)
where:
Base-Base interactions energy: -89.214
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.038
local terms energy: -63.209858
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -90.823982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823982 (E_RNA)
where:
Base-Base interactions energy: -41.886
where: short stacking energy: -13.645
Base-Backbone interact. energy: -0.775
local terms energy: -48.163045
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -2.076
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -80.495708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.495708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.495708 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -22.704
Base-Backbone interact. energy: -0.147
local terms energy: -39.132903
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -77.068086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068086 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.119
local terms energy: -45.388401
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -77.067690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067690 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.235
local terms energy: -38.916736
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -6.125
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -67.160046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.160046 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.271
local terms energy: -42.217914
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -4.399
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: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -187.755883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.755883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.755883 (E_RNA)
where:
Base-Base interactions energy: -115.299
where: short stacking energy: -60.511
Base-Backbone interact. energy: 0.129
local terms energy: -72.586429
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -176.032200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.032200 (E_RNA)
where:
Base-Base interactions energy: -117.633
where: short stacking energy: -43.115
Base-Backbone interact. energy: -0.890
local terms energy: -57.509003
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -145.538273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.538273 (E_RNA)
where:
Base-Base interactions energy: -78.379
where: short stacking energy: -38.000
Base-Backbone interact. energy: -0.398
local terms energy: -66.761520
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -165.581975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.581975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.581975 (E_RNA)
where:
Base-Base interactions energy: -103.121
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.208
local terms energy: -62.253227
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -167.359516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.359516 (E_RNA)
where:
Base-Base interactions energy: -101.622
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.922
local terms energy: -64.815428
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -83.543295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.543295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.543295 (E_RNA)
where:
Base-Base interactions energy: -28.991
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.023
local terms energy: -54.528766
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -79.922023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922023 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.047
local terms energy: -44.903385
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -10.632
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: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -92.566394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566394 (E_RNA)
where:
Base-Base interactions energy: -37.745
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.125
local terms energy: -54.696968
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -82.436725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436725 (E_RNA)
where:
Base-Base interactions energy: -36.906
where: short stacking energy: -27.205
Base-Backbone interact. energy: -0.159
local terms energy: -45.371193
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -69.292336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.292336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.292336 (E_RNA)
where:
Base-Base interactions energy: -25.039
where: short stacking energy: -21.640
Base-Backbone interact. energy: 0.042
local terms energy: -44.295400
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -169.513444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513444 (E_RNA)
where:
Base-Base interactions energy: -99.880
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.755
local terms energy: -68.877968
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -177.074641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.074641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.074641 (E_RNA)
where:
Base-Base interactions energy: -117.873
where: short stacking energy: -47.916
Base-Backbone interact. energy: -0.447
local terms energy: -58.754852
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -10.753
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: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -158.120001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.120001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.120001 (E_RNA)
where:
Base-Base interactions energy: -96.105
where: short stacking energy: -45.149
Base-Backbone interact. energy: 0.285
local terms energy: -62.300057
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -160.145668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.145668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.145668 (E_RNA)
where:
Base-Base interactions energy: -105.219
where: short stacking energy: -44.041
Base-Backbone interact. energy: -0.500
local terms energy: -54.425859
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -152.478350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.478350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.478350 (E_RNA)
where:
Base-Base interactions energy: -91.368
where: short stacking energy: -39.803
Base-Backbone interact. energy: -0.724
local terms energy: -60.386048
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -9.630
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: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -94.383626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.383626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.383626 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.304
local terms energy: -54.218538
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -6.849
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: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -90.505165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505165 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -28.265
Base-Backbone interact. energy: 1.987
local terms energy: -51.468227
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -74.512658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.512658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.512658 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.512
local terms energy: -34.602188
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -1.745
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -89.492036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.492036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.492036 (E_RNA)
where:
Base-Base interactions energy: -47.153
where: short stacking energy: -19.457
Base-Backbone interact. energy: -1.102
local terms energy: -41.237089
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -4.125
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: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -66.092603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.092603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.092603 (E_RNA)
where:
Base-Base interactions energy: -26.780
where: short stacking energy: -25.278
Base-Backbone interact. energy: -0.752
local terms energy: -38.559906
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -179.686292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.686292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.686292 (E_RNA)
where:
Base-Base interactions energy: -107.695
where: short stacking energy: -51.643
Base-Backbone interact. energy: 0.182
local terms energy: -72.173378
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.226
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -182.165064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.165064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.165064 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -48.984
Base-Backbone interact. energy: -0.401
local terms energy: -58.432805
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -145.669345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.669345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.669345 (E_RNA)
where:
Base-Base interactions energy: -90.955
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.168
local terms energy: -54.546042
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -170.250311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.250311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.250311 (E_RNA)
where:
Base-Base interactions energy: -100.277
where: short stacking energy: -46.653
Base-Backbone interact. energy: -0.101
local terms energy: -69.872763
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -159.404551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.404551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.404551 (E_RNA)
where:
Base-Base interactions energy: -97.045
where: short stacking energy: -54.957
Base-Backbone interact. energy: -0.671
local terms energy: -61.689007
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -96.895038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.895038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.895038 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -35.569
Base-Backbone interact. energy: 0.028
local terms energy: -49.279212
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -107.611315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611315 (E_RNA)
where:
Base-Base interactions energy: -63.021
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.130
local terms energy: -44.459668
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -4.761
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: 397
Temperature: 1.250000
Total energy: -78.939461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.939461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.939461 (E_RNA)
where:
Base-Base interactions energy: -29.837
where: short stacking energy: -27.359
Base-Backbone interact. energy: 3.081
local terms energy: -52.183603
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -81.630479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.630479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.630479 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -14.356
Base-Backbone interact. energy: -1.086
local terms energy: -39.841102
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: 2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -68.694529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.694529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.694529 (E_RNA)
where:
Base-Base interactions energy: -36.582
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.589
local terms energy: -31.523413
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -3.810
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -184.962492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.962492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.962492 (E_RNA)
where:
Base-Base interactions energy: -124.478
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.603
local terms energy: -59.881738
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -166.547355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.547355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.547355 (E_RNA)
where:
Base-Base interactions energy: -103.847
where: short stacking energy: -52.118
Base-Backbone interact. energy: -0.590
local terms energy: -62.110903
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -14.115
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -184.766377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.766377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.766377 (E_RNA)
where:
Base-Base interactions energy: -122.118
where: short stacking energy: -49.571
Base-Backbone interact. energy: 0.107
local terms energy: -62.754731
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -10.930
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: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -151.621013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.621013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.621013 (E_RNA)
where:
Base-Base interactions energy: -92.898
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.180
local terms energy: -58.542529
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -168.763121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.763121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.763121 (E_RNA)
where:
Base-Base interactions energy: -105.775
where: short stacking energy: -54.589
Base-Backbone interact. energy: 0.604
local terms energy: -63.592232
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -87.441700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441700 (E_RNA)
where:
Base-Base interactions energy: -40.148
where: short stacking energy: -30.502
Base-Backbone interact. energy: -0.389
local terms energy: -46.905356
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -7.214
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: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -99.257192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.257192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.257192 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -32.432
Base-Backbone interact. energy: -0.373
local terms energy: -53.369041
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.337
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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -70.879255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.879255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.879255 (E_RNA)
where:
Base-Base interactions energy: -21.506
where: short stacking energy: -18.461
Base-Backbone interact. energy: -0.233
local terms energy: -49.139972
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.505360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.505360 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.081
local terms energy: -49.732833
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -67.916669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.916669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.916669 (E_RNA)
where:
Base-Base interactions energy: -23.876
where: short stacking energy: -23.427
Base-Backbone interact. energy: -0.153
local terms energy: -43.887321
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -187.770670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.770670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.770670 (E_RNA)
where:
Base-Base interactions energy: -123.737
where: short stacking energy: -46.577
Base-Backbone interact. energy: -1.513
local terms energy: -62.520461
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -184.959187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.959187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.959187 (E_RNA)
where:
Base-Base interactions energy: -114.961
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.197
local terms energy: -69.801186
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -163.228891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.228891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.228891 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.153
local terms energy: -59.291796
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -10.605
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -155.060653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.060653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.060653 (E_RNA)
where:
Base-Base interactions energy: -97.421
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.534
local terms energy: -57.106180
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -4.975
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -154.565284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.565284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.565284 (E_RNA)
where:
Base-Base interactions energy: -92.838
where: short stacking energy: -50.559
Base-Backbone interact. energy: -0.096
local terms energy: -61.631016
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -118.039395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.039395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.039395 (E_RNA)
where:
Base-Base interactions energy: -70.002
where: short stacking energy: -27.773
Base-Backbone interact. energy: -0.593
local terms energy: -47.443851
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -86.575186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.575186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.575186 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.136
local terms energy: -52.158991
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -73.614317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.614317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.614317 (E_RNA)
where:
Base-Base interactions energy: -23.591
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.171
local terms energy: -49.852313
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -74.821863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.821863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.821863 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -26.297
Base-Backbone interact. energy: 0.403
local terms energy: -44.883629
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -4.755
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -80.157973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.157973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.157973 (E_RNA)
where:
Base-Base interactions energy: -28.028
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.027
local terms energy: -52.102227
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -7.576
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: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -200.055691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.055691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055691 (E_RNA)
where:
Base-Base interactions energy: -132.892
where: short stacking energy: -47.353
Base-Backbone interact. energy: -0.428
local terms energy: -66.736093
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -173.396603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.396603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.396603 (E_RNA)
where:
Base-Base interactions energy: -108.942
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.064
local terms energy: -64.390615
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -15.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -160.990347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.990347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.990347 (E_RNA)
where:
Base-Base interactions energy: -105.560
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.468
local terms energy: -54.963154
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -162.513512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.513512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.513512 (E_RNA)
where:
Base-Base interactions energy: -98.365
where: short stacking energy: -49.607
Base-Backbone interact. energy: 0.261
local terms energy: -64.410302
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -88.096429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.096429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.096429 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -16.137
Base-Backbone interact. energy: -0.787
local terms energy: -52.438572
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -158.024696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.024696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.024696 (E_RNA)
where:
Base-Base interactions energy: -102.224
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.191
local terms energy: -55.609618
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.927
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: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -91.283843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.283843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.283843 (E_RNA)
where:
Base-Base interactions energy: -36.046
where: short stacking energy: -29.054
Base-Backbone interact. energy: 0.305
local terms energy: -55.542533
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -72.351654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.351654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.351654 (E_RNA)
where:
Base-Base interactions energy: -13.765
where: short stacking energy: -12.476
Base-Backbone interact. energy: -0.155
local terms energy: -58.431932
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -3.449
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: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -81.227559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227559 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -21.086
Base-Backbone interact. energy: -1.171
local terms energy: -43.019886
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: 0.253
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -72.558620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558620 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -20.186
Base-Backbone interact. energy: -0.196
local terms energy: -34.533517
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -8.159
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -196.575448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.575448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.575448 (E_RNA)
where:
Base-Base interactions energy: -133.006
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.557
local terms energy: -63.012550
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -162.910716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.910716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.910716 (E_RNA)
where:
Base-Base interactions energy: -102.176
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.622
local terms energy: -60.112614
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -177.705949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.705949 (E_RNA)
where:
Base-Base interactions energy: -116.715
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.551
local terms energy: -60.439826
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -15.479
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -101.512237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.512237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.512237 (E_RNA)
where:
Base-Base interactions energy: -46.121
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.116
local terms energy: -55.275310
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -154.002483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.002483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.002483 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -47.312
Base-Backbone interact. energy: -0.001
local terms energy: -64.194159
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -146.297179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.297179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.297179 (E_RNA)
where:
Base-Base interactions energy: -90.094
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.439
local terms energy: -55.764600
where:
bonds (distance) C4'-P energy: -6.768
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -82.589796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.589796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.589796 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.326
local terms energy: -44.873429
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -76.100881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.100881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.100881 (E_RNA)
where:
Base-Base interactions energy: -21.819
where: short stacking energy: -20.121
Base-Backbone interact. energy: -0.087
local terms energy: -54.195060
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -6.294
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -92.992615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.992615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.992615 (E_RNA)
where:
Base-Base interactions energy: -39.096
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.333
local terms energy: -53.562927
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -8.013
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: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -63.955163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.955163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.955163 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -11.002
Base-Backbone interact. energy: 3.170
local terms energy: -40.972256
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: 2.256
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: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -179.738794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.738794 (E_RNA)
where:
Base-Base interactions energy: -120.059
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.278
local terms energy: -59.402333
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -11.781
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: 402
Temperature: 0.950000
Total energy: -178.703491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.703491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.703491 (E_RNA)
where:
Base-Base interactions energy: -116.916
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.638
local terms energy: -61.149662
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -172.069518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.069518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.069518 (E_RNA)
where:
Base-Base interactions energy: -114.335
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.259
local terms energy: -57.475764
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -10.864
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: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -109.261097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.261097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.261097 (E_RNA)
where:
Base-Base interactions energy: -47.617
where: short stacking energy: -35.133
Base-Backbone interact. energy: -1.141
local terms energy: -60.503451
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -170.868823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.868823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.868823 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -57.666
Base-Backbone interact. energy: -0.001
local terms energy: -66.902302
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -147.167575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.167575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.167575 (E_RNA)
where:
Base-Base interactions energy: -100.774
where: short stacking energy: -42.498
Base-Backbone interact. energy: -0.134
local terms energy: -46.260170
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -102.717119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.717119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.717119 (E_RNA)
where:
Base-Base interactions energy: -52.390
where: short stacking energy: -24.692
Base-Backbone interact. energy: 2.309
local terms energy: -52.635610
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -6.997
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: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -82.561837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.561837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.561837 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -25.261
Base-Backbone interact. energy: -0.192
local terms energy: -47.208712
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -64.570073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.570073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.570073 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -21.502
Base-Backbone interact. energy: 1.246
local terms energy: -44.314440
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -81.989044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989044 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -22.335
Base-Backbone interact. energy: -0.489
local terms energy: -44.237293
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -179.854816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.854816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.854816 (E_RNA)
where:
Base-Base interactions energy: -118.276
where: short stacking energy: -50.846
Base-Backbone interact. energy: -0.927
local terms energy: -60.651616
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.489
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: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -169.357597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.357597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.357597 (E_RNA)
where:
Base-Base interactions energy: -107.764
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.880
local terms energy: -60.714001
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -179.237205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.237205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.237205 (E_RNA)
where:
Base-Base interactions energy: -113.544
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.382
local terms energy: -65.310867
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -163.198805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.198805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.198805 (E_RNA)
where:
Base-Base interactions energy: -98.119
where: short stacking energy: -41.888
Base-Backbone interact. energy: -0.000
local terms energy: -65.079498
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -91.108480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.108480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.108480 (E_RNA)
where:
Base-Base interactions energy: -42.562
where: short stacking energy: -30.857
Base-Backbone interact. energy: -0.462
local terms energy: -48.085290
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.329
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: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -130.096745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.096745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.096745 (E_RNA)
where:
Base-Base interactions energy: -75.131
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.108
local terms energy: -54.857647
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -99.458382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.458382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.458382 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -36.886
Base-Backbone interact. energy: -0.118
local terms energy: -48.386402
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -89.818102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.818102 (E_RNA)
where:
Base-Base interactions energy: -42.575
where: short stacking energy: -27.279
Base-Backbone interact. energy: -1.406
local terms energy: -45.837443
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -68.556948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.556948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.556948 (E_RNA)
where:
Base-Base interactions energy: -20.808
where: short stacking energy: -20.808
Base-Backbone interact. energy: 0.178
local terms energy: -47.926143
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -8.125
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -66.372866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.372866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.372866 (E_RNA)
where:
Base-Base interactions energy: -20.352
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.114
local terms energy: -45.907277
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -2.822
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: 404
Temperature: 0.900000
Total energy: -186.417443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.417443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.417443 (E_RNA)
where:
Base-Base interactions energy: -120.590
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.256
local terms energy: -65.570835
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -169.344058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.344058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344058 (E_RNA)
where:
Base-Base interactions energy: -105.072
where: short stacking energy: -46.414
Base-Backbone interact. energy: -0.103
local terms energy: -64.169076
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -174.972279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.972279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.972279 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.371
local terms energy: -57.784337
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -179.098586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.098586 (E_RNA)
where:
Base-Base interactions energy: -122.594
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.093
local terms energy: -56.411495
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -6.152
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: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -158.030540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.030540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.030540 (E_RNA)
where:
Base-Base interactions energy: -100.574
where: short stacking energy: -43.863
Base-Backbone interact. energy: -0.513
local terms energy: -56.943326
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -83.376548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.376548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.376548 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.250
local terms energy: -51.201723
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -94.924456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.924456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.924456 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -25.406
Base-Backbone interact. energy: -0.103
local terms energy: -55.638850
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -76.402590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.402590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.402590 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -25.624
Base-Backbone interact. energy: -0.015
local terms energy: -42.461769
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -77.585716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.585716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.585716 (E_RNA)
where:
Base-Base interactions energy: -32.703
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.208
local terms energy: -44.673973
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -1.004
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -74.331591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.331591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.331591 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -28.131
Base-Backbone interact. energy: 1.993
local terms energy: -48.194302
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -9.508
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: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -184.641237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.641237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.641237 (E_RNA)
where:
Base-Base interactions energy: -113.658
where: short stacking energy: -49.833
Base-Backbone interact. energy: -0.800
local terms energy: -70.183078
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -170.928465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.928465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.928465 (E_RNA)
where:
Base-Base interactions energy: -112.506
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.534
local terms energy: -57.888593
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -160.817089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.817089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.817089 (E_RNA)
where:
Base-Base interactions energy: -100.646
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.070
local terms energy: -60.101353
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -156.033492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.033492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.033492 (E_RNA)
where:
Base-Base interactions energy: -99.508
where: short stacking energy: -49.055
Base-Backbone interact. energy: -0.364
local terms energy: -56.160642
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -8.607
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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -156.625547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.625547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.625547 (E_RNA)
where:
Base-Base interactions energy: -94.876
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.063
local terms energy: -61.686527
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -106.278374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.278374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.278374 (E_RNA)
where:
Base-Base interactions energy: -51.105
where: short stacking energy: -22.825
Base-Backbone interact. energy: -0.115
local terms energy: -55.057657
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -81.560740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.560740 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -27.732
Base-Backbone interact. energy: -0.238
local terms energy: -48.706976
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -78.094300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094300 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.182
local terms energy: -46.445374
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -7.310
flat angles P-C4'-P energy: -10.159
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -69.598966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.598966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.598966 (E_RNA)
where:
Base-Base interactions energy: -22.339
where: short stacking energy: -19.467
Base-Backbone interact. energy: -0.102
local terms energy: -47.158696
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -74.200606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.200606 (E_RNA)
where:
Base-Base interactions energy: -26.785
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.039
local terms energy: -47.375906
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -3.785
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: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -186.490867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.490867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.490867 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.106
local terms energy: -61.978934
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -171.330170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.330170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.330170 (E_RNA)
where:
Base-Base interactions energy: -107.535
where: short stacking energy: -46.146
Base-Backbone interact. energy: -0.642
local terms energy: -63.153187
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -14.204
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -169.559760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.559760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.559760 (E_RNA)
where:
Base-Base interactions energy: -101.147
where: short stacking energy: -52.127
Base-Backbone interact. energy: -0.112
local terms energy: -68.300938
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -167.736082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.736082 (E_RNA)
where:
Base-Base interactions energy: -104.500
where: short stacking energy: -52.689
Base-Backbone interact. energy: -0.218
local terms energy: -63.017611
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -147.058618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.058618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.058618 (E_RNA)
where:
Base-Base interactions energy: -89.508
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.234
local terms energy: -57.316268
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -96.143160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.143160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.143160 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -34.764
Base-Backbone interact. energy: -0.141
local terms energy: -52.620451
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -8.236
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: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -94.186551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186551 (E_RNA)
where:
Base-Base interactions energy: -45.238
where: short stacking energy: -23.756
Base-Backbone interact. energy: -0.498
local terms energy: -48.450037
where:
bonds (distance) C4'-P energy: -7.315
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.474
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: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -71.819582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.819582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.819582 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -24.515
Base-Backbone interact. energy: -0.897
local terms energy: -46.251354
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -95.741943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.741943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.741943 (E_RNA)
where:
Base-Base interactions energy: -50.394
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.328
local terms energy: -45.019346
where:
bonds (distance) C4'-P energy: -6.681
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -4.673
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: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -68.377776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.377776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.377776 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -15.983
Base-Backbone interact. energy: -0.285
local terms energy: -28.463388
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -2.108
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -192.217130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.217130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.217130 (E_RNA)
where:
Base-Base interactions energy: -127.845
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.382
local terms energy: -63.990272
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -15.817
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -177.264472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.264472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.264472 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.823
local terms energy: -59.460288
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -1.317
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -161.476099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.476099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.476099 (E_RNA)
where:
Base-Base interactions energy: -104.982
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.207
local terms energy: -56.287115
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -156.826497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.826497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.826497 (E_RNA)
where:
Base-Base interactions energy: -91.201
where: short stacking energy: -41.316
Base-Backbone interact. energy: -0.488
local terms energy: -65.137435
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.537
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: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -161.794200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.794200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.794200 (E_RNA)
where:
Base-Base interactions energy: -99.893
where: short stacking energy: -55.918
Base-Backbone interact. energy: -0.029
local terms energy: -61.872535
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -104.715654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.715654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.715654 (E_RNA)
where:
Base-Base interactions energy: -57.610
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.032
local terms energy: -47.074029
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -2.803
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: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -96.374634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.374634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.374634 (E_RNA)
where:
Base-Base interactions energy: -48.507
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.163
local terms energy: -47.704450
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -7.179
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: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -91.333973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.333973 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.272
local terms energy: -57.772526
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -71.544250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.544250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.544250 (E_RNA)
where:
Base-Base interactions energy: -15.501
where: short stacking energy: -15.501
Base-Backbone interact. energy: -0.083
local terms energy: -55.959744
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -68.903978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.903978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.903978 (E_RNA)
where:
Base-Base interactions energy: -24.327
where: short stacking energy: -24.327
Base-Backbone interact. energy: -0.588
local terms energy: -43.988336
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -178.418077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.418077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.418077 (E_RNA)
where:
Base-Base interactions energy: -123.958
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.005
local terms energy: -54.455800
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -12.815
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: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -173.316588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.316588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.316588 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.345
local terms energy: -64.432232
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -12.310
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: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -174.408689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.408689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.408689 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -38.692
Base-Backbone interact. energy: -1.029
local terms energy: -67.976882
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -161.686334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.686334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.686334 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -50.236
Base-Backbone interact. energy: -0.252
local terms energy: -52.140862
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -157.144983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.144983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.144983 (E_RNA)
where:
Base-Base interactions energy: -94.577
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.738
local terms energy: -61.830553
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -13.234
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: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -81.505090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505090 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -19.589
Base-Backbone interact. energy: -0.393
local terms energy: -49.270552
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -81.063279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.063279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.063279 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -17.415
Base-Backbone interact. energy: -1.080
local terms energy: -46.010340
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -8.653
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: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -83.085608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.085608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.085608 (E_RNA)
where:
Base-Base interactions energy: -31.471
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.146
local terms energy: -51.468741
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -7.139
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: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.658540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.658540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.658540 (E_RNA)
where:
Base-Base interactions energy: -31.274
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.218
local terms energy: -47.166533
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -5.372
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: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -63.887229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.887229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.887229 (E_RNA)
where:
Base-Base interactions energy: -18.233
where: short stacking energy: -16.875
Base-Backbone interact. energy: -0.009
local terms energy: -45.644391
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -185.496727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.496727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496727 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.638
local terms energy: -69.128916
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -188.590851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590851 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.310
local terms energy: -60.330908
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -170.212886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212886 (E_RNA)
where:
Base-Base interactions energy: -121.156
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.275
local terms energy: -48.781837
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -163.628651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.628651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.628651 (E_RNA)
where:
Base-Base interactions energy: -97.017
where: short stacking energy: -49.109
Base-Backbone interact. energy: -1.746
local terms energy: -64.865079
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -153.545790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.545790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.545790 (E_RNA)
where:
Base-Base interactions energy: -95.502
where: short stacking energy: -51.257
Base-Backbone interact. energy: 0.801
local terms energy: -58.845179
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -99.736930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.736930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.736930 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -31.504
Base-Backbone interact. energy: -0.279
local terms energy: -49.566401
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -10.267
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: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -86.766968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.766968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.766968 (E_RNA)
where:
Base-Base interactions energy: -39.760
where: short stacking energy: -22.819
Base-Backbone interact. energy: -0.628
local terms energy: -46.378282
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -83.335389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.335389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.335389 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.624
local terms energy: -53.294225
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -93.754054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754054 (E_RNA)
where:
Base-Base interactions energy: -35.501
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.548
local terms energy: -57.705319
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -7.032
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -72.544608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.544608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.544608 (E_RNA)
where:
Base-Base interactions energy: -29.893
where: short stacking energy: -13.117
Base-Backbone interact. energy: -1.634
local terms energy: -41.017689
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -185.538984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538984 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -51.336
Base-Backbone interact. energy: -1.297
local terms energy: -56.886576
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.973
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: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -192.363147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.363147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.363147 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -55.956
Base-Backbone interact. energy: -0.635
local terms energy: -64.579777
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -168.349002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.349002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.349002 (E_RNA)
where:
Base-Base interactions energy: -107.051
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.090
local terms energy: -61.208306
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -12.248
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: 410
Temperature: 1.050000
Total energy: -161.898681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.898681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.898681 (E_RNA)
where:
Base-Base interactions energy: -97.425
where: short stacking energy: -50.957
Base-Backbone interact. energy: -0.416
local terms energy: -64.057471
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -156.435617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.435617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.435617 (E_RNA)
where:
Base-Base interactions energy: -99.551
where: short stacking energy: -43.077
Base-Backbone interact. energy: -1.135
local terms energy: -55.749921
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -105.015706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.015706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.015706 (E_RNA)
where:
Base-Base interactions energy: -58.907
where: short stacking energy: -43.215
Base-Backbone interact. energy: -1.100
local terms energy: -45.008515
where:
bonds (distance) C4'-P energy: -5.152
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -84.878351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.878351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.878351 (E_RNA)
where:
Base-Base interactions energy: -37.561
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.299
local terms energy: -47.018417
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -76.685935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.685935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.685935 (E_RNA)
where:
Base-Base interactions energy: -24.230
where: short stacking energy: -24.230
Base-Backbone interact. energy: -0.080
local terms energy: -52.375348
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -6.360
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: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -84.913774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913774 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.153
local terms energy: -51.837360
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -103.404058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.404058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.404058 (E_RNA)
where:
Base-Base interactions energy: -59.584
where: short stacking energy: -27.392
Base-Backbone interact. energy: -0.052
local terms energy: -43.767869
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -5.483
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: 411
Temperature: 0.900000
Total energy: -185.229134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.229134 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.174
local terms energy: -55.046031
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -189.369468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.369468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.369468 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -47.429
Base-Backbone interact. energy: -0.617
local terms energy: -56.117881
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -176.934844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.934844 (E_RNA)
where:
Base-Base interactions energy: -112.297
where: short stacking energy: -50.330
Base-Backbone interact. energy: -1.325
local terms energy: -63.312313
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -11.631
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -161.257946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.257946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.257946 (E_RNA)
where:
Base-Base interactions energy: -98.663
where: short stacking energy: -42.603
Base-Backbone interact. energy: -2.344
local terms energy: -60.251322
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -162.167983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167983 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -51.127
Base-Backbone interact. energy: -0.374
local terms energy: -65.867288
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -87.560366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.560366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.560366 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.003
local terms energy: -56.343859
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -94.372634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372634 (E_RNA)
where:
Base-Base interactions energy: -49.188
where: short stacking energy: -21.636
Base-Backbone interact. energy: -0.133
local terms energy: -45.050859
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -102.752439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752439 (E_RNA)
where:
Base-Base interactions energy: -57.130
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.068
local terms energy: -45.554821
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.094
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: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -81.185172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185172 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -33.224
Base-Backbone interact. energy: -0.141
local terms energy: -44.258183
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -95.420828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.420828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.420828 (E_RNA)
where:
Base-Base interactions energy: -49.242
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.085
local terms energy: -46.094172
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -196.505060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.505060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.505060 (E_RNA)
where:
Base-Base interactions energy: -138.348
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.144
local terms energy: -58.013192
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -179.600986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.600986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.600986 (E_RNA)
where:
Base-Base interactions energy: -120.618
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.787
local terms energy: -58.195971
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -172.932830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.932830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.932830 (E_RNA)
where:
Base-Base interactions energy: -105.249
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.793
local terms energy: -66.891090
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -159.262051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.262051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.262051 (E_RNA)
where:
Base-Base interactions energy: -97.832
where: short stacking energy: -51.996
Base-Backbone interact. energy: -0.015
local terms energy: -61.415646
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -167.323239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323239 (E_RNA)
where:
Base-Base interactions energy: -109.031
where: short stacking energy: -46.417
Base-Backbone interact. energy: -0.673
local terms energy: -57.619041
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -93.643459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643459 (E_RNA)
where:
Base-Base interactions energy: -46.724
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.136
local terms energy: -46.783488
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -9.600
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: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -78.830660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.830660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.830660 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -30.267
Base-Backbone interact. energy: -0.291
local terms energy: -42.473152
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.043
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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -85.724631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724631 (E_RNA)
where:
Base-Base interactions energy: -55.522
where: short stacking energy: -26.565
Base-Backbone interact. energy: 0.130
local terms energy: -30.333095
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -76.101422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.101422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.101422 (E_RNA)
where:
Base-Base interactions energy: -36.660
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.523
local terms energy: -38.918783
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -91.170202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.170202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.170202 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.109
local terms energy: -52.382249
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -6.123
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: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -189.306595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.306595 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.373
local terms energy: -59.111193
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -12.479
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: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -175.305740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.305740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.305740 (E_RNA)
where:
Base-Base interactions energy: -98.084
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.030
local terms energy: -77.191321
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -171.566866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.566866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566866 (E_RNA)
where:
Base-Base interactions energy: -111.974
where: short stacking energy: -51.507
Base-Backbone interact. energy: -1.418
local terms energy: -58.175669
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -169.370609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.370609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.370609 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -51.589
Base-Backbone interact. energy: -0.097
local terms energy: -59.405094
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -162.987627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.987627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.987627 (E_RNA)
where:
Base-Base interactions energy: -100.570
where: short stacking energy: -41.280
Base-Backbone interact. energy: -0.074
local terms energy: -62.343040
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -108.232974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.232974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.232974 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -33.714
Base-Backbone interact. energy: 0.347
local terms energy: -57.837721
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -8.250
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -83.114861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114861 (E_RNA)
where:
Base-Base interactions energy: -36.082
where: short stacking energy: -21.109
Base-Backbone interact. energy: -0.514
local terms energy: -46.518351
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -76.850161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.850161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.850161 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.383
local terms energy: -41.898031
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -84.810923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810923 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.148
local terms energy: -53.966720
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.290
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: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -74.893246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.893246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.893246 (E_RNA)
where:
Base-Base interactions energy: -24.878
where: short stacking energy: -24.878
Base-Backbone interact. energy: 0.720
local terms energy: -50.735147
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -7.610
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -177.863315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.863315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.863315 (E_RNA)
where:
Base-Base interactions energy: -111.548
where: short stacking energy: -59.009
Base-Backbone interact. energy: -1.038
local terms energy: -65.278019
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -171.006733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.006733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.006733 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -42.356
Base-Backbone interact. energy: -0.016
local terms energy: -56.641085
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -180.274607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.274607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.274607 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.317
local terms energy: -54.324020
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -8.306
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: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -162.989935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.989935 (E_RNA)
where:
Base-Base interactions energy: -96.531
where: short stacking energy: -44.658
Base-Backbone interact. energy: -0.271
local terms energy: -66.188550
where:
bonds (distance) C4'-P energy: -5.705
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -169.578922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.578922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.578922 (E_RNA)
where:
Base-Base interactions energy: -114.450
where: short stacking energy: -47.250
Base-Backbone interact. energy: -0.755
local terms energy: -54.373846
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -90.567844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.567844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.567844 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.238
local terms energy: -46.875585
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: 0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -93.439120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.439120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.439120 (E_RNA)
where:
Base-Base interactions energy: -37.401
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.004
local terms energy: -56.034378
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -80.549877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549877 (E_RNA)
where:
Base-Base interactions energy: -31.981
where: short stacking energy: -31.981
Base-Backbone interact. energy: -0.179
local terms energy: -48.389744
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -109.866066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.866066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.866066 (E_RNA)
where:
Base-Base interactions energy: -60.676
where: short stacking energy: -32.220
Base-Backbone interact. energy: -0.063
local terms energy: -49.127533
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -68.452142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.452142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.452142 (E_RNA)
where:
Base-Base interactions energy: -20.518
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.015
local terms energy: -47.918929
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -183.986226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.986226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986226 (E_RNA)
where:
Base-Base interactions energy: -118.712
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.243
local terms energy: -65.030997
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -16.511
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -172.523823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.523823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.523823 (E_RNA)
where:
Base-Base interactions energy: -118.369
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.475
local terms energy: -53.679438
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -11.077
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -171.922742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.922742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.922742 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.784
local terms energy: -57.608213
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -184.230195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.230195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.230195 (E_RNA)
where:
Base-Base interactions energy: -110.562
where: short stacking energy: -52.609
Base-Backbone interact. energy: -1.776
local terms energy: -71.891838
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -152.089358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.089358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.089358 (E_RNA)
where:
Base-Base interactions energy: -92.281
where: short stacking energy: -49.156
Base-Backbone interact. energy: -0.615
local terms energy: -59.193070
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -10.353
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: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -91.478474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.478474 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -34.515
Base-Backbone interact. energy: -0.076
local terms energy: -52.845636
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -104.319777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.319777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.319777 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -45.474
Base-Backbone interact. energy: -0.039
local terms energy: -57.285505
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -74.238620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.238620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.238620 (E_RNA)
where:
Base-Base interactions energy: -28.472
where: short stacking energy: -26.586
Base-Backbone interact. energy: 1.413
local terms energy: -47.180260
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -8.506
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: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -83.245631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.245631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.245631 (E_RNA)
where:
Base-Base interactions energy: -44.780
where: short stacking energy: -23.788
Base-Backbone interact. energy: 0.136
local terms energy: -38.601577
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -63.150510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.150510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.150510 (E_RNA)
where:
Base-Base interactions energy: -26.013
where: short stacking energy: -21.579
Base-Backbone interact. energy: -0.173
local terms energy: -36.964404
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -181.606210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.606210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.606210 (E_RNA)
where:
Base-Base interactions energy: -112.964
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.574
local terms energy: -68.068112
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -13.588
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: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -179.334032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.334032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.334032 (E_RNA)
where:
Base-Base interactions energy: -112.426
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.237
local terms energy: -66.671324
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -16.682
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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -173.029086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.029086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.029086 (E_RNA)
where:
Base-Base interactions energy: -105.838
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.743
local terms energy: -66.447687
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -164.451889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.451889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.451889 (E_RNA)
where:
Base-Base interactions energy: -106.867
where: short stacking energy: -51.833
Base-Backbone interact. energy: -0.002
local terms energy: -57.583519
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -13.978
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -163.221294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.221294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.221294 (E_RNA)
where:
Base-Base interactions energy: -105.391
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.096
local terms energy: -57.734587
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -141.028268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.028268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.028268 (E_RNA)
where:
Base-Base interactions energy: -81.646
where: short stacking energy: -42.521
Base-Backbone interact. energy: -0.142
local terms energy: -59.240025
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -8.869
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: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -82.973808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973808 (E_RNA)
where:
Base-Base interactions energy: -44.643
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.583
local terms energy: -37.747291
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.525
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: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -71.751633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.751633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.751633 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -21.021
Base-Backbone interact. energy: 1.328
local terms energy: -41.983226
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -66.255020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.255020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.255020 (E_RNA)
where:
Base-Base interactions energy: -25.120
where: short stacking energy: -13.778
Base-Backbone interact. energy: 1.737
local terms energy: -42.871760
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -7.967
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -73.368714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.368714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.368714 (E_RNA)
where:
Base-Base interactions energy: -18.527
where: short stacking energy: -16.604
Base-Backbone interact. energy: -0.032
local terms energy: -54.809827
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -6.011
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -182.327320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.327320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.327320 (E_RNA)
where:
Base-Base interactions energy: -112.658
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.385
local terms energy: -69.284607
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -172.286874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.286874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.286874 (E_RNA)
where:
Base-Base interactions energy: -105.386
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.254
local terms energy: -66.646982
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -161.375999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.375999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.375999 (E_RNA)
where:
Base-Base interactions energy: -96.208
where: short stacking energy: -50.767
Base-Backbone interact. energy: -0.076
local terms energy: -65.091471
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -14.111
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: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -169.511953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.511953 (E_RNA)
where:
Base-Base interactions energy: -109.617
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.082
local terms energy: -59.812537
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -165.949532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.949532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.949532 (E_RNA)
where:
Base-Base interactions energy: -105.277
where: short stacking energy: -59.085
Base-Backbone interact. energy: 0.773
local terms energy: -61.446315
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.901
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: 417
Temperature: 1.150000
Total energy: -142.419866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.419866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.419866 (E_RNA)
where:
Base-Base interactions energy: -84.055
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.610
local terms energy: -57.755112
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -87.286990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.286990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.286990 (E_RNA)
where:
Base-Base interactions energy: -33.524
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.038
local terms energy: -53.724424
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -78.787318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.787318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.787318 (E_RNA)
where:
Base-Base interactions energy: -27.763
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.146
local terms energy: -50.877674
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -10.824
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: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -68.417799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.417799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.417799 (E_RNA)
where:
Base-Base interactions energy: -25.999
where: short stacking energy: -21.120
Base-Backbone interact. energy: -0.290
local terms energy: -42.128652
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.984
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: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -73.448120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.448120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.448120 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.137
local terms energy: -39.796560
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -172.921271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.921271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.921271 (E_RNA)
where:
Base-Base interactions energy: -110.213
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.183
local terms energy: -62.525470
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -185.203469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.203469 (E_RNA)
where:
Base-Base interactions energy: -121.590
where: short stacking energy: -46.356
Base-Backbone interact. energy: -1.917
local terms energy: -61.696785
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -9.135
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: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -165.733233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.733233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.733233 (E_RNA)
where:
Base-Base interactions energy: -98.754
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.052
local terms energy: -66.927274
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -14.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -154.755943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.755943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.755943 (E_RNA)
where:
Base-Base interactions energy: -94.709
where: short stacking energy: -50.122
Base-Backbone interact. energy: -0.813
local terms energy: -59.233402
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -151.745213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.745213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.745213 (E_RNA)
where:
Base-Base interactions energy: -91.318
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.521
local terms energy: -59.905629
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -142.381661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.381661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.381661 (E_RNA)
where:
Base-Base interactions energy: -86.971
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.921
local terms energy: -54.489634
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -12.138
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -79.609119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.609119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.609119 (E_RNA)
where:
Base-Base interactions energy: -28.403
where: short stacking energy: -25.511
Base-Backbone interact. energy: -0.269
local terms energy: -50.937670
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -112.918897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.918897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.918897 (E_RNA)
where:
Base-Base interactions energy: -65.413
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.124
local terms energy: -47.381977
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -10.226
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: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -82.671080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.671080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.671080 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.293
local terms energy: -42.644985
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -71.951553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.951553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.951553 (E_RNA)
where:
Base-Base interactions energy: -24.848
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.217
local terms energy: -46.886809
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: 0.272
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: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -181.710613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.710613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710613 (E_RNA)
where:
Base-Base interactions energy: -111.443
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.816
local terms energy: -69.451901
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -189.423929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.423929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.423929 (E_RNA)
where:
Base-Base interactions energy: -131.006
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.543
local terms energy: -57.874412
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -4.963
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: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -173.569822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.569822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569822 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -57.073
Base-Backbone interact. energy: -1.121
local terms energy: -68.854380
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -14.782
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -170.751920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.751920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.751920 (E_RNA)
where:
Base-Base interactions energy: -100.430
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.002
local terms energy: -70.319710
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -160.570926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.570926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.570926 (E_RNA)
where:
Base-Base interactions energy: -97.218
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.012
local terms energy: -63.341412
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -162.987813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.987813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.987813 (E_RNA)
where:
Base-Base interactions energy: -107.812
where: short stacking energy: -41.156
Base-Backbone interact. energy: -0.553
local terms energy: -54.623454
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -79.695231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695231 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.075
local terms energy: -41.371821
where:
bonds (distance) C4'-P energy: -4.920
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -78.910088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.910088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.910088 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.080
local terms energy: -34.178276
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: 1.885
tors. eta vs tors. theta energy: -5.602
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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -67.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.122294 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -14.818
Base-Backbone interact. energy: -0.138
local terms energy: -42.345124
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -66.775994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.775994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.775994 (E_RNA)
where:
Base-Base interactions energy: -28.964
where: short stacking energy: -29.664
Base-Backbone interact. energy: -0.108
local terms energy: -37.704455
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -188.026382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.026382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.026382 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.142
local terms energy: -62.444269
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -174.868929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.868929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.868929 (E_RNA)
where:
Base-Base interactions energy: -119.749
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.810
local terms energy: -54.310068
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -176.798044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.798044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.798044 (E_RNA)
where:
Base-Base interactions energy: -110.755
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.400
local terms energy: -65.643442
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -14.735
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: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -162.549693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.549693 (E_RNA)
where:
Base-Base interactions energy: -98.578
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.025
local terms energy: -63.947351
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -156.728873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.728873 (E_RNA)
where:
Base-Base interactions energy: -100.615
where: short stacking energy: -49.038
Base-Backbone interact. energy: 0.203
local terms energy: -56.317602
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -9.593
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: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -148.799231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.799231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.799231 (E_RNA)
where:
Base-Base interactions energy: -91.824
where: short stacking energy: -45.538
Base-Backbone interact. energy: 1.435
local terms energy: -58.409743
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -82.090746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.090746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.090746 (E_RNA)
where:
Base-Base interactions energy: -29.273
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.053
local terms energy: -52.765474
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -83.732858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732858 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.266
local terms energy: -50.564130
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -73.317367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.317367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.317367 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -30.763
Base-Backbone interact. energy: -0.136
local terms energy: -42.148351
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.791
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: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -66.056458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.056458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.056458 (E_RNA)
where:
Base-Base interactions energy: -21.277
where: short stacking energy: -21.268
Base-Backbone interact. energy: -0.099
local terms energy: -44.679795
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -185.417124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.417124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.417124 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.019
local terms energy: -71.827968
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.544
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: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -174.841187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.841187 (E_RNA)
where:
Base-Base interactions energy: -106.068
where: short stacking energy: -47.201
Base-Backbone interact. energy: -0.374
local terms energy: -68.398621
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -16.678
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: 421
Temperature: 1.000000
Total energy: -170.588593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.588593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.588593 (E_RNA)
where:
Base-Base interactions energy: -105.861
where: short stacking energy: -52.710
Base-Backbone interact. energy: -0.993
local terms energy: -63.734707
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -152.830883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.830883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.830883 (E_RNA)
where:
Base-Base interactions energy: -96.332
where: short stacking energy: -49.704
Base-Backbone interact. energy: -0.120
local terms energy: -56.379043
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -156.445648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.445648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.445648 (E_RNA)
where:
Base-Base interactions energy: -94.911
where: short stacking energy: -53.852
Base-Backbone interact. energy: 0.404
local terms energy: -61.938644
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -158.940359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.940359 (E_RNA)
where:
Base-Base interactions energy: -102.629
where: short stacking energy: -43.247
Base-Backbone interact. energy: -0.025
local terms energy: -56.286494
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -6.545
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: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -87.450140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.450140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.450140 (E_RNA)
where:
Base-Base interactions energy: -36.666
where: short stacking energy: -36.666
Base-Backbone interact. energy: -0.038
local terms energy: -50.746897
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -69.565574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.565574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.565574 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -22.018
Base-Backbone interact. energy: 0.190
local terms energy: -42.801161
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -82.158428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.158428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.158428 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.196
local terms energy: -46.211898
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.337
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -119.717765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.717765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.717765 (E_RNA)
where:
Base-Base interactions energy: -69.245
where: short stacking energy: -39.926
Base-Backbone interact. energy: 1.107
local terms energy: -51.579305
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -7.560
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -178.531524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531524 (E_RNA)
where:
Base-Base interactions energy: -116.210
where: short stacking energy: -51.381
Base-Backbone interact. energy: -1.003
local terms energy: -61.318878
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -14.484
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: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -183.530249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.530249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.530249 (E_RNA)
where:
Base-Base interactions energy: -115.206
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.001
local terms energy: -68.323215
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -153.728238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.728238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.728238 (E_RNA)
where:
Base-Base interactions energy: -96.768
where: short stacking energy: -44.451
Base-Backbone interact. energy: -0.171
local terms energy: -56.789821
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.783
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: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -186.483491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.483491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.483491 (E_RNA)
where:
Base-Base interactions energy: -117.660
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.365
local terms energy: -68.458403
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -166.585676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.585676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.585676 (E_RNA)
where:
Base-Base interactions energy: -110.417
where: short stacking energy: -45.432
Base-Backbone interact. energy: -0.483
local terms energy: -55.685581
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -6.132
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: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -153.638626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.638626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.638626 (E_RNA)
where:
Base-Base interactions energy: -101.120
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.603
local terms energy: -51.916016
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -10.554
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: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -89.573326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573326 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.177
local terms energy: -49.487732
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -8.638
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: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -78.599786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599786 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.016
local terms energy: -47.076609
where:
bonds (distance) C4'-P energy: -7.606
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -77.954771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.954771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.954771 (E_RNA)
where:
Base-Base interactions energy: -25.495
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.093
local terms energy: -52.367324
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -70.210355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.210355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.210355 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -26.192
Base-Backbone interact. energy: -0.045
local terms energy: -41.567520
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -1.545
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -7.512
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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -186.648016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.648016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.648016 (E_RNA)
where:
Base-Base interactions energy: -115.749
where: short stacking energy: -55.115
Base-Backbone interact. energy: -1.276
local terms energy: -69.623605
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -182.017049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.017049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.017049 (E_RNA)
where:
Base-Base interactions energy: -116.273
where: short stacking energy: -53.320
Base-Backbone interact. energy: -0.733
local terms energy: -65.010385
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -174.121119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.121119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.121119 (E_RNA)
where:
Base-Base interactions energy: -110.401
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.007
local terms energy: -63.713222
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -149.526060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.526060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.526060 (E_RNA)
where:
Base-Base interactions energy: -84.867
where: short stacking energy: -39.910
Base-Backbone interact. energy: -0.553
local terms energy: -64.105208
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -157.422350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.422350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.422350 (E_RNA)
where:
Base-Base interactions energy: -97.016
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.254
local terms energy: -60.152317
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -13.521
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -148.617189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.617189 (E_RNA)
where:
Base-Base interactions energy: -90.732
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.020
local terms energy: -57.865107
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -12.781
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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -84.083459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.083459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.083459 (E_RNA)
where:
Base-Base interactions energy: -25.731
where: short stacking energy: -25.731
Base-Backbone interact. energy: -0.450
local terms energy: -57.901787
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -80.421185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.421185 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -33.953
Base-Backbone interact. energy: 0.032
local terms energy: -46.500140
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.106
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -78.311811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.311811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.311811 (E_RNA)
where:
Base-Base interactions energy: -31.683
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.002
local terms energy: -46.626632
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -64.374098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.374098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.374098 (E_RNA)
where:
Base-Base interactions energy: -19.170
where: short stacking energy: -14.471
Base-Backbone interact. energy: -0.218
local terms energy: -44.985422
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -190.592245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.592245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.592245 (E_RNA)
where:
Base-Base interactions energy: -115.952
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.126
local terms energy: -74.514089
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -173.849854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.849854 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -47.826
Base-Backbone interact. energy: -0.654
local terms energy: -56.638221
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -169.369546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.369546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.369546 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -54.571
Base-Backbone interact. energy: 0.829
local terms energy: -65.102063
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -149.732095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.732095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.732095 (E_RNA)
where:
Base-Base interactions energy: -86.509
where: short stacking energy: -45.431
Base-Backbone interact. energy: -1.000
local terms energy: -62.223026
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -149.241120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.241120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241120 (E_RNA)
where:
Base-Base interactions energy: -95.783
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.542
local terms energy: -52.915808
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -7.166
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: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -148.968780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.968780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.968780 (E_RNA)
where:
Base-Base interactions energy: -85.628
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.096
local terms energy: -63.245233
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -89.443494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443494 (E_RNA)
where:
Base-Base interactions energy: -40.544
where: short stacking energy: -22.739
Base-Backbone interact. energy: 1.696
local terms energy: -50.595918
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.172501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.172501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.172501 (E_RNA)
where:
Base-Base interactions energy: -32.378
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.251
local terms energy: -52.543580
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -1.988
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: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -72.473159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.473159 (E_RNA)
where:
Base-Base interactions energy: -25.910
where: short stacking energy: -18.807
Base-Backbone interact. energy: 0.043
local terms energy: -46.606241
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -61.817691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.817691 (E_RNA)
where:
Base-Base interactions energy: -18.167
where: short stacking energy: -13.929
Base-Backbone interact. energy: -0.297
local terms energy: -43.353349
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -181.051812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.051812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.051812 (E_RNA)
where:
Base-Base interactions energy: -104.179
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.787
local terms energy: -76.085979
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.187
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: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -178.570195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.570195 (E_RNA)
where:
Base-Base interactions energy: -114.919
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.236
local terms energy: -63.414438
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -172.079087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.079087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.079087 (E_RNA)
where:
Base-Base interactions energy: -110.323
where: short stacking energy: -43.187
Base-Backbone interact. energy: -1.122
local terms energy: -60.633799
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -156.751072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.751072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.751072 (E_RNA)
where:
Base-Base interactions energy: -100.617
where: short stacking energy: -41.902
Base-Backbone interact. energy: -0.727
local terms energy: -55.406977
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -10.113
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: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -161.443280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.443280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.443280 (E_RNA)
where:
Base-Base interactions energy: -93.069
where: short stacking energy: -51.982
Base-Backbone interact. energy: -0.013
local terms energy: -68.360898
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.962
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: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -148.390038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.390038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.390038 (E_RNA)
where:
Base-Base interactions energy: -98.425
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.230
local terms energy: -49.734948
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -129.459390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.459390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.459390 (E_RNA)
where:
Base-Base interactions energy: -80.700
where: short stacking energy: -24.304
Base-Backbone interact. energy: -0.161
local terms energy: -48.598537
where:
bonds (distance) C4'-P energy: -6.463
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.120
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: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -82.342233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342233 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.022
local terms energy: -42.321500
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -70.335586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.335586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.335586 (E_RNA)
where:
Base-Base interactions energy: -21.911
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.506
local terms energy: -47.917689
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -6.692
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: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -66.674506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.674506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.674506 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -31.069
Base-Backbone interact. energy: -0.469
local terms energy: -34.036796
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -6.837
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: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -179.529726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.529726 (E_RNA)
where:
Base-Base interactions energy: -116.916
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.644
local terms energy: -61.969148
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -163.874499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.874499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.874499 (E_RNA)
where:
Base-Base interactions energy: -102.120
where: short stacking energy: -41.537
Base-Backbone interact. energy: -0.124
local terms energy: -61.630444
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -173.894470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.894470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.894470 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -53.920
Base-Backbone interact. energy: 0.047
local terms energy: -63.392830
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -182.239061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.239061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.239061 (E_RNA)
where:
Base-Base interactions energy: -124.604
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.175
local terms energy: -57.460504
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -166.446011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.446011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.446011 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -50.358
Base-Backbone interact. energy: -0.477
local terms energy: -62.334534
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -159.842078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.842078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.842078 (E_RNA)
where:
Base-Base interactions energy: -104.465
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.280
local terms energy: -55.096832
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -117.847012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.847012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.847012 (E_RNA)
where:
Base-Base interactions energy: -68.663
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.192
local terms energy: -48.991332
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -8.907
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: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -130.523505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.523505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.523505 (E_RNA)
where:
Base-Base interactions energy: -81.140
where: short stacking energy: -42.752
Base-Backbone interact. energy: -0.484
local terms energy: -48.899227
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -5.776
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: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -85.189382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189382 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.034
local terms energy: -48.504493
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -4.413
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: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -72.625748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.625748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.625748 (E_RNA)
where:
Base-Base interactions energy: -26.415
where: short stacking energy: -11.717
Base-Backbone interact. energy: -0.956
local terms energy: -45.254379
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -188.653494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.653494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.653494 (E_RNA)
where:
Base-Base interactions energy: -119.313
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.318
local terms energy: -69.022798
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -180.733318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.733318 (E_RNA)
where:
Base-Base interactions energy: -110.028
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.385
local terms energy: -70.321042
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -170.671908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.671908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.671908 (E_RNA)
where:
Base-Base interactions energy: -105.917
where: short stacking energy: -52.502
Base-Backbone interact. energy: 1.651
local terms energy: -66.405949
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -172.343815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.343815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.343815 (E_RNA)
where:
Base-Base interactions energy: -106.893
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.009
local terms energy: -65.441448
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -166.876530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.876530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.876530 (E_RNA)
where:
Base-Base interactions energy: -121.022
where: short stacking energy: -43.890
Base-Backbone interact. energy: -0.364
local terms energy: -45.490287
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: 0.210
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -143.719322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.719322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.719322 (E_RNA)
where:
Base-Base interactions energy: -98.267
where: short stacking energy: -41.797
Base-Backbone interact. energy: 0.291
local terms energy: -45.742945
where:
bonds (distance) C4'-P energy: -5.787
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -88.137911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.137911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.137911 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.124
local terms energy: -46.956006
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -108.296292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.296292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.296292 (E_RNA)
where:
Base-Base interactions energy: -57.775
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.155
local terms energy: -50.366849
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -74.375300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.375300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.375300 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.061
local terms energy: -45.760883
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -6.640
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: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -73.584550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.584550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.584550 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.009
local terms energy: -38.897244
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -7.627
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: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -185.205398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.205398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.205398 (E_RNA)
where:
Base-Base interactions energy: -115.519
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.107
local terms energy: -69.578535
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -174.128423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128423 (E_RNA)
where:
Base-Base interactions energy: -105.873
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.456
local terms energy: -67.799518
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.602
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: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -167.621855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.621855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.621855 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.299
local terms energy: -56.157096
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -171.620000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.620000 (E_RNA)
where:
Base-Base interactions energy: -113.269
where: short stacking energy: -54.373
Base-Backbone interact. energy: 0.097
local terms energy: -58.448148
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -8.912
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: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -146.500672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.500672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.500672 (E_RNA)
where:
Base-Base interactions energy: -92.847
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.892
local terms energy: -52.761528
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -153.479571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.479571 (E_RNA)
where:
Base-Base interactions energy: -84.184
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.422
local terms energy: -68.873416
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -128.260310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.260310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.260310 (E_RNA)
where:
Base-Base interactions energy: -72.036
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.150
local terms energy: -56.074054
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -74.745095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.745095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.745095 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -29.518
Base-Backbone interact. energy: -0.001
local terms energy: -45.210565
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -0.126
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -88.161740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.161740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.161740 (E_RNA)
where:
Base-Base interactions energy: -40.658
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.068
local terms energy: -47.435776
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -7.990
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -71.250007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.250007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.250007 (E_RNA)
where:
Base-Base interactions energy: -25.928
where: short stacking energy: -17.352
Base-Backbone interact. energy: -0.189
local terms energy: -45.133752
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -6.098
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: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -183.550581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550581 (E_RNA)
where:
Base-Base interactions energy: -111.822
where: short stacking energy: -55.728
Base-Backbone interact. energy: -1.055
local terms energy: -70.674324
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -171.009231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.009231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.009231 (E_RNA)
where:
Base-Base interactions energy: -112.212
where: short stacking energy: -53.533
Base-Backbone interact. energy: -0.317
local terms energy: -58.480178
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -174.588607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.588607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.588607 (E_RNA)
where:
Base-Base interactions energy: -110.423
where: short stacking energy: -44.931
Base-Backbone interact. energy: 0.075
local terms energy: -64.241230
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.554
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: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -160.227829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.227829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.227829 (E_RNA)
where:
Base-Base interactions energy: -100.210
where: short stacking energy: -53.668
Base-Backbone interact. energy: -0.223
local terms energy: -59.795269
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -160.258746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.258746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.258746 (E_RNA)
where:
Base-Base interactions energy: -103.618
where: short stacking energy: -44.545
Base-Backbone interact. energy: 0.941
local terms energy: -57.582151
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -156.825372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.825372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.825372 (E_RNA)
where:
Base-Base interactions energy: -94.845
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.257
local terms energy: -61.722826
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -126.294010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.294010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.294010 (E_RNA)
where:
Base-Base interactions energy: -71.836
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.303
local terms energy: -54.155325
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -8.763
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: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -92.043589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043589 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -28.140
Base-Backbone interact. energy: -0.008
local terms energy: -52.895158
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -86.903880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.903880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.903880 (E_RNA)
where:
Base-Base interactions energy: -37.360
where: short stacking energy: -36.171
Base-Backbone interact. energy: 0.220
local terms energy: -49.764302
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -66.045830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.045830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.045830 (E_RNA)
where:
Base-Base interactions energy: -23.018
where: short stacking energy: -23.018
Base-Backbone interact. energy: -0.014
local terms energy: -43.013518
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -180.886775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.886775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.886775 (E_RNA)
where:
Base-Base interactions energy: -112.844
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.595
local terms energy: -67.448229
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.939
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: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -174.159230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.159230 (E_RNA)
where:
Base-Base interactions energy: -107.731
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.392
local terms energy: -66.035940
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -174.428497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428497 (E_RNA)
where:
Base-Base interactions energy: -113.226
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.543
local terms energy: -60.659675
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -156.906192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.906192 (E_RNA)
where:
Base-Base interactions energy: -95.817
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.000
local terms energy: -61.089283
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -13.388
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: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -157.137147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.137147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.137147 (E_RNA)
where:
Base-Base interactions energy: -100.039
where: short stacking energy: -44.643
Base-Backbone interact. energy: -0.057
local terms energy: -57.041904
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -154.144841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.144841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.144841 (E_RNA)
where:
Base-Base interactions energy: -89.922
where: short stacking energy: -50.992
Base-Backbone interact. energy: -0.319
local terms energy: -63.903443
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -14.630
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -135.857713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.857713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.857713 (E_RNA)
where:
Base-Base interactions energy: -81.173
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.379
local terms energy: -54.305227
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -9.866
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: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -88.858202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.858202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.858202 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -19.123
Base-Backbone interact. energy: -1.307
local terms energy: -51.551119
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -2.677
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: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -79.298185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.298185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.298185 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -28.748
Base-Backbone interact. energy: -0.051
local terms energy: -50.257899
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -92.344990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.344990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.344990 (E_RNA)
where:
Base-Base interactions energy: -48.354
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.096
local terms energy: -43.895459
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -9.611
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -178.730468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.730468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.730468 (E_RNA)
where:
Base-Base interactions energy: -110.056
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.110
local terms energy: -68.564018
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -17.543
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: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -187.648392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648392 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.301
local terms energy: -63.286783
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -170.296299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.296299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.296299 (E_RNA)
where:
Base-Base interactions energy: -106.241
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.626
local terms energy: -63.429632
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -168.289120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.289120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.289120 (E_RNA)
where:
Base-Base interactions energy: -108.144
where: short stacking energy: -50.776
Base-Backbone interact. energy: -0.089
local terms energy: -60.055635
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -3.675
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: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -149.776664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.776664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.776664 (E_RNA)
where:
Base-Base interactions energy: -94.185
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.201
local terms energy: -55.390527
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -166.600652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600652 (E_RNA)
where:
Base-Base interactions energy: -102.059
where: short stacking energy: -54.888
Base-Backbone interact. energy: -0.092
local terms energy: -64.450118
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -103.898422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.898422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.898422 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -28.318
Base-Backbone interact. energy: 0.422
local terms energy: -44.315880
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.693
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: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -75.558036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558036 (E_RNA)
where:
Base-Base interactions energy: -23.594
where: short stacking energy: -23.367
Base-Backbone interact. energy: -0.273
local terms energy: -51.691557
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -72.528342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.528342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.528342 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.101
local terms energy: -37.833590
where:
bonds (distance) C4'-P energy: -6.255
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -69.483368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.483368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.483368 (E_RNA)
where:
Base-Base interactions energy: -33.428
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.078
local terms energy: -35.976682
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -7.618
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -187.475806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.475806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.475806 (E_RNA)
where:
Base-Base interactions energy: -122.366
where: short stacking energy: -54.682
Base-Backbone interact. energy: 0.092
local terms energy: -65.202320
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -173.733076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.733076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.733076 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -40.930
Base-Backbone interact. energy: 0.003
local terms energy: -65.364267
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -161.084605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.084605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.084605 (E_RNA)
where:
Base-Base interactions energy: -106.295
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.630
local terms energy: -54.159943
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -169.110030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.110030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.110030 (E_RNA)
where:
Base-Base interactions energy: -104.359
where: short stacking energy: -55.739
Base-Backbone interact. energy: -0.130
local terms energy: -64.620796
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -16.059
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: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -164.919345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919345 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.052
local terms energy: -55.958318
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -148.071275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.071275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.071275 (E_RNA)
where:
Base-Base interactions energy: -95.295
where: short stacking energy: -54.883
Base-Backbone interact. energy: -0.042
local terms energy: -52.734692
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -80.448261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448261 (E_RNA)
where:
Base-Base interactions energy: -24.919
where: short stacking energy: -22.465
Base-Backbone interact. energy: -0.015
local terms energy: -55.513871
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.213
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -75.532845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.532845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.532845 (E_RNA)
where:
Base-Base interactions energy: -25.530
where: short stacking energy: -24.820
Base-Backbone interact. energy: 0.169
local terms energy: -50.172599
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -67.475237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.475237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.475237 (E_RNA)
where:
Base-Base interactions energy: -22.053
where: short stacking energy: -17.567
Base-Backbone interact. energy: 0.061
local terms energy: -45.483658
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -5.040
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -71.407977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.407977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.407977 (E_RNA)
where:
Base-Base interactions energy: -27.119
where: short stacking energy: -24.386
Base-Backbone interact. energy: -0.259
local terms energy: -44.030040
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -3.972
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: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -178.538580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.538580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.538580 (E_RNA)
where:
Base-Base interactions energy: -117.412
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.524
local terms energy: -60.603191
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -182.123592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.123592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.123592 (E_RNA)
where:
Base-Base interactions energy: -117.480
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.236
local terms energy: -64.407603
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -160.560860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.560860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.560860 (E_RNA)
where:
Base-Base interactions energy: -105.163
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.869
local terms energy: -54.528695
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -9.764
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: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -160.395580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.395580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.395580 (E_RNA)
where:
Base-Base interactions energy: -100.728
where: short stacking energy: -50.998
Base-Backbone interact. energy: -0.023
local terms energy: -59.644572
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -10.588
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: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -160.667643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.667643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.667643 (E_RNA)
where:
Base-Base interactions energy: -107.153
where: short stacking energy: -46.879
Base-Backbone interact. energy: -0.444
local terms energy: -53.071007
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -169.909923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.909923 (E_RNA)
where:
Base-Base interactions energy: -112.643
where: short stacking energy: -38.949
Base-Backbone interact. energy: -0.835
local terms energy: -56.431560
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -82.761655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761655 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -16.946
Base-Backbone interact. energy: -0.179
local terms energy: -45.858648
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -68.465095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.465095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.465095 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -16.800
Base-Backbone interact. energy: -0.273
local terms energy: -42.624271
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -71.727012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.727012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.727012 (E_RNA)
where:
Base-Base interactions energy: -25.775
where: short stacking energy: -25.775
Base-Backbone interact. energy: -0.079
local terms energy: -45.873067
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -3.106
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: 433
Temperature: 1.350000
Total energy: -72.136942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.136942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.136942 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.300
local terms energy: -39.545571
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -5.225
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -183.142334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.142334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.142334 (E_RNA)
where:
Base-Base interactions energy: -113.939
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.920
local terms energy: -68.283589
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -178.564756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.564756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.564756 (E_RNA)
where:
Base-Base interactions energy: -113.544
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.285
local terms energy: -64.735485
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -166.892710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.892710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.892710 (E_RNA)
where:
Base-Base interactions energy: -104.353
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.989
local terms energy: -61.550817
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -10.494
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: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -147.100553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.100553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.100553 (E_RNA)
where:
Base-Base interactions energy: -91.003
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.478
local terms energy: -55.619950
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -172.503207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.503207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.503207 (E_RNA)
where:
Base-Base interactions energy: -118.816
where: short stacking energy: -46.156
Base-Backbone interact. energy: -0.801
local terms energy: -52.886567
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -9.517
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -166.851122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.851122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.851122 (E_RNA)
where:
Base-Base interactions energy: -106.845
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.760
local terms energy: -59.245614
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -86.301777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.301777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.301777 (E_RNA)
where:
Base-Base interactions energy: -43.697
where: short stacking energy: -20.413
Base-Backbone interact. energy: -0.753
local terms energy: -41.851667
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -6.613
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: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -99.962086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.962086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.962086 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.224
local terms energy: -53.291788
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -68.529950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529950 (E_RNA)
where:
Base-Base interactions energy: -27.977
where: short stacking energy: -18.169
Base-Backbone interact. energy: -0.111
local terms energy: -40.441912
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -7.209
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: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -71.669722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.669722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.669722 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -24.267
Base-Backbone interact. energy: 1.179
local terms energy: -42.120224
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -1.873
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: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -184.996484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996484 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.117
local terms energy: -61.745573
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -7.222
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -177.230962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.230962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.230962 (E_RNA)
where:
Base-Base interactions energy: -114.221
where: short stacking energy: -55.794
Base-Backbone interact. energy: -0.291
local terms energy: -62.718953
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -164.486172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.486172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.486172 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.874
local terms energy: -53.958757
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -168.299802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.299802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.299802 (E_RNA)
where:
Base-Base interactions energy: -103.725
where: short stacking energy: -46.313
Base-Backbone interact. energy: -0.733
local terms energy: -63.841506
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -7.692
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: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -147.572834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.572834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.572834 (E_RNA)
where:
Base-Base interactions energy: -87.074
where: short stacking energy: -41.853
Base-Backbone interact. energy: -0.776
local terms energy: -59.722407
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -159.064083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.064083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.064083 (E_RNA)
where:
Base-Base interactions energy: -98.457
where: short stacking energy: -45.663
Base-Backbone interact. energy: -0.060
local terms energy: -60.546709
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -80.421905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.421905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.421905 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -15.391
Base-Backbone interact. energy: -0.289
local terms energy: -41.293194
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -4.932
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: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -75.184287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.184287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.184287 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.116
local terms energy: -52.969927
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -9.570
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: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -70.550524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.550524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.550524 (E_RNA)
where:
Base-Base interactions energy: -17.593
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.026
local terms energy: -52.931312
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -77.481898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481898 (E_RNA)
where:
Base-Base interactions energy: -28.360
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.183
local terms energy: -48.938462
where:
bonds (distance) C4'-P energy: -6.401
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -181.419000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.419000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.419000 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.746
local terms energy: -57.223665
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -174.485196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.485196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.485196 (E_RNA)
where:
Base-Base interactions energy: -104.624
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.002
local terms energy: -69.859096
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -173.737983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.737983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.737983 (E_RNA)
where:
Base-Base interactions energy: -107.517
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.449
local terms energy: -65.772263
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -164.881180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.881180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.881180 (E_RNA)
where:
Base-Base interactions energy: -108.856
where: short stacking energy: -48.521
Base-Backbone interact. energy: -0.830
local terms energy: -55.195183
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -168.134821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.134821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.134821 (E_RNA)
where:
Base-Base interactions energy: -113.245
where: short stacking energy: -43.855
Base-Backbone interact. energy: 1.105
local terms energy: -55.995577
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -150.638535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.638535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.638535 (E_RNA)
where:
Base-Base interactions energy: -93.788
where: short stacking energy: -45.088
Base-Backbone interact. energy: 0.667
local terms energy: -57.518008
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -85.308946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.308946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.308946 (E_RNA)
where:
Base-Base interactions energy: -33.616
where: short stacking energy: -33.616
Base-Backbone interact. energy: 0.165
local terms energy: -51.858763
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.382
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: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -106.177683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.177683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.177683 (E_RNA)
where:
Base-Base interactions energy: -62.803
where: short stacking energy: -25.951
Base-Backbone interact. energy: -0.059
local terms energy: -43.315722
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: 1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -78.822259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.822259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.822259 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.127
local terms energy: -42.290914
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -73.338176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.338176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.338176 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -19.322
Base-Backbone interact. energy: -0.058
local terms energy: -44.240354
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.379
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: 437
Temperature: 0.900000
Total energy: -180.336426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.336426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.336426 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.118
local terms energy: -62.217486
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -181.979465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.979465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.979465 (E_RNA)
where:
Base-Base interactions energy: -112.025
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.100
local terms energy: -69.854341
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -166.704552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.704552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.704552 (E_RNA)
where:
Base-Base interactions energy: -101.373
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.155
local terms energy: -65.176669
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -166.656806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.656806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.656806 (E_RNA)
where:
Base-Base interactions energy: -97.474
where: short stacking energy: -59.424
Base-Backbone interact. energy: 0.240
local terms energy: -69.422161
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -18.748
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: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -151.166970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.166970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.166970 (E_RNA)
where:
Base-Base interactions energy: -91.637
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.170
local terms energy: -59.360245
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -141.736520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.736520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.736520 (E_RNA)
where:
Base-Base interactions energy: -86.172
where: short stacking energy: -33.788
Base-Backbone interact. energy: -0.112
local terms energy: -55.452018
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -11.818
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: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -103.348685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.348685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.348685 (E_RNA)
where:
Base-Base interactions energy: -57.736
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.162
local terms energy: -45.450699
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -7.487
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -67.815777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.815777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.815777 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -18.627
Base-Backbone interact. energy: -0.125
local terms energy: -37.118852
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -3.814
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -66.785861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.785861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.785861 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.120
local terms energy: -41.163783
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -70.238142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.238142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.238142 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -14.103
Base-Backbone interact. energy: -0.125
local terms energy: -38.437700
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: 0.380
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: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -178.700354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.700354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.700354 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -48.609
Base-Backbone interact. energy: -0.454
local terms energy: -61.428883
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -177.443848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.443848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.443848 (E_RNA)
where:
Base-Base interactions energy: -109.829
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.512
local terms energy: -67.102961
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -168.435942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435942 (E_RNA)
where:
Base-Base interactions energy: -107.012
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.014
local terms energy: -61.410661
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -16.111
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: 438
Temperature: 1.050000
Total energy: -167.751143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.751143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.751143 (E_RNA)
where:
Base-Base interactions energy: -102.983
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.002
local terms energy: -64.766714
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -161.621368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.621368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.621368 (E_RNA)
where:
Base-Base interactions energy: -97.006
where: short stacking energy: -48.164
Base-Backbone interact. energy: -0.029
local terms energy: -64.586292
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -17.650
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: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -86.109430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.109430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.109430 (E_RNA)
where:
Base-Base interactions energy: -49.190
where: short stacking energy: -20.192
Base-Backbone interact. energy: -0.056
local terms energy: -36.863094
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -7.629
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -93.369412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369412 (E_RNA)
where:
Base-Base interactions energy: -49.454
where: short stacking energy: -33.149
Base-Backbone interact. energy: -1.288
local terms energy: -42.627613
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -76.629989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.629989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.629989 (E_RNA)
where:
Base-Base interactions energy: -26.961
where: short stacking energy: -19.451
Base-Backbone interact. energy: -0.031
local terms energy: -49.638470
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -4.584
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: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -81.695237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.695237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.695237 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.147
local terms energy: -35.959918
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.431
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -71.253919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.253919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.253919 (E_RNA)
where:
Base-Base interactions energy: -30.414
where: short stacking energy: -16.869
Base-Backbone interact. energy: -0.131
local terms energy: -40.709598
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -160.945420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.945420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.945420 (E_RNA)
where:
Base-Base interactions energy: -101.062
where: short stacking energy: -43.375
Base-Backbone interact. energy: -1.465
local terms energy: -58.418700
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.540
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: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -176.570578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.570578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.570578 (E_RNA)
where:
Base-Base interactions energy: -111.401
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.009
local terms energy: -65.160265
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -16.943
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: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -182.735795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.735795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.735795 (E_RNA)
where:
Base-Base interactions energy: -119.593
where: short stacking energy: -57.372
Base-Backbone interact. energy: 0.074
local terms energy: -63.216630
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -170.524176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.524176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.524176 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.162
local terms energy: -61.522868
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -158.566312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.566312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.566312 (E_RNA)
where:
Base-Base interactions energy: -95.489
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.597
local terms energy: -62.480763
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -100.868232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.868232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.868232 (E_RNA)
where:
Base-Base interactions energy: -49.407
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.006
local terms energy: -51.454778
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -96.478932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.478932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.478932 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -31.271
Base-Backbone interact. energy: 0.010
local terms energy: -49.864724
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -73.737462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.737462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.737462 (E_RNA)
where:
Base-Base interactions energy: -26.077
where: short stacking energy: -23.280
Base-Backbone interact. energy: -0.099
local terms energy: -47.561554
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -7.678
flat angles P-C4'-P energy: -6.701
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: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -69.608769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.608769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.608769 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -21.990
Base-Backbone interact. energy: -0.529
local terms energy: -34.012806
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -3.488
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -67.744492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.744492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.744492 (E_RNA)
where:
Base-Base interactions energy: -25.934
where: short stacking energy: -19.058
Base-Backbone interact. energy: -0.432
local terms energy: -41.379010
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -180.285935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.285935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.285935 (E_RNA)
where:
Base-Base interactions energy: -111.767
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.448
local terms energy: -68.071210
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -175.884474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.884474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.884474 (E_RNA)
where:
Base-Base interactions energy: -109.253
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.000
local terms energy: -66.630814
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.303
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: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -176.260343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.260343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.260343 (E_RNA)
where:
Base-Base interactions energy: -111.778
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.258
local terms energy: -64.224753
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -6.871
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: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -167.155656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.155656 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.105
local terms energy: -61.936906
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -8.021
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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -149.274408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.274408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.274408 (E_RNA)
where:
Base-Base interactions energy: -101.428
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.841
local terms energy: -47.005612
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -6.575
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -9.802
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: 440
Temperature: 1.150000
Total energy: -96.406612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.406612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.406612 (E_RNA)
where:
Base-Base interactions energy: -49.568
where: short stacking energy: -36.173
Base-Backbone interact. energy: -0.931
local terms energy: -45.907039
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -85.915145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.915145 (E_RNA)
where:
Base-Base interactions energy: -38.587
where: short stacking energy: -31.797
Base-Backbone interact. energy: -0.134
local terms energy: -47.194296
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -8.664
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: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -79.873813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.873813 (E_RNA)
where:
Base-Base interactions energy: -22.507
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.139
local terms energy: -57.227424
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -78.575206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575206 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -24.838
Base-Backbone interact. energy: -0.209
local terms energy: -41.714382
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -73.413494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.413494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.413494 (E_RNA)
where:
Base-Base interactions energy: -29.934
where: short stacking energy: -11.104
Base-Backbone interact. energy: -0.723
local terms energy: -42.756536
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: 2.769
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: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -182.142333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.142333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.142333 (E_RNA)
where:
Base-Base interactions energy: -114.905
where: short stacking energy: -52.862
Base-Backbone interact. energy: -1.107
local terms energy: -66.129604
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -164.268901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.268901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.268901 (E_RNA)
where:
Base-Base interactions energy: -102.914
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.112
local terms energy: -61.242423
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -174.696254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.696254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.696254 (E_RNA)
where:
Base-Base interactions energy: -114.697
where: short stacking energy: -56.596
Base-Backbone interact. energy: 0.666
local terms energy: -60.665018
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -13.395
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: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -158.149615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.149615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.149615 (E_RNA)
where:
Base-Base interactions energy: -94.469
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.796
local terms energy: -62.885102
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -146.421657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.421657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.421657 (E_RNA)
where:
Base-Base interactions energy: -86.266
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.126
local terms energy: -60.029667
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -84.299768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299768 (E_RNA)
where:
Base-Base interactions energy: -31.884
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.161
local terms energy: -52.254344
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -81.784307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784307 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.239
local terms energy: -49.582898
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -82.394928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.394928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.394928 (E_RNA)
where:
Base-Base interactions energy: -42.418
where: short stacking energy: -22.899
Base-Backbone interact. energy: -1.198
local terms energy: -38.779498
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: 0.019
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -72.105910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.105910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.105910 (E_RNA)
where:
Base-Base interactions energy: -23.791
where: short stacking energy: -23.791
Base-Backbone interact. energy: 0.320
local terms energy: -48.635534
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -69.521017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.521017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.521017 (E_RNA)
where:
Base-Base interactions energy: -24.135
where: short stacking energy: -17.238
Base-Backbone interact. energy: 0.558
local terms energy: -45.944098
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -180.187472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.187472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.187472 (E_RNA)
where:
Base-Base interactions energy: -114.754
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.003
local terms energy: -65.430779
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -168.886872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.886872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.886872 (E_RNA)
where:
Base-Base interactions energy: -95.482
where: short stacking energy: -51.278
Base-Backbone interact. energy: -0.206
local terms energy: -73.199323
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.603
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: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -146.575345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.575345 (E_RNA)
where:
Base-Base interactions energy: -89.153
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.163
local terms energy: -57.259788
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.502
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: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -166.796376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.796376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.796376 (E_RNA)
where:
Base-Base interactions energy: -101.339
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.886
local terms energy: -64.571409
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -147.072236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.072236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.072236 (E_RNA)
where:
Base-Base interactions energy: -92.699
where: short stacking energy: -40.794
Base-Backbone interact. energy: -0.119
local terms energy: -54.254558
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -116.116885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.116885 (E_RNA)
where:
Base-Base interactions energy: -62.119
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.007
local terms energy: -53.990666
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -98.871065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871065 (E_RNA)
where:
Base-Base interactions energy: -37.860
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.016
local terms energy: -60.995345
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -83.788895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788895 (E_RNA)
where:
Base-Base interactions energy: -34.900
where: short stacking energy: -30.174
Base-Backbone interact. energy: 4.732
local terms energy: -53.620762
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -78.824696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.824696 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -23.430
Base-Backbone interact. energy: 1.634
local terms energy: -39.854118
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -70.709079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.709079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.709079 (E_RNA)
where:
Base-Base interactions energy: -39.222
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.125
local terms energy: -31.361950
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -5.406
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: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -177.481667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.481667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.481667 (E_RNA)
where:
Base-Base interactions energy: -110.304
where: short stacking energy: -50.381
Base-Backbone interact. energy: -0.141
local terms energy: -67.036927
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -172.555384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.555384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.555384 (E_RNA)
where:
Base-Base interactions energy: -110.955
where: short stacking energy: -50.277
Base-Backbone interact. energy: -1.091
local terms energy: -60.508865
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -9.787
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: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -175.882887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.882887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.882887 (E_RNA)
where:
Base-Base interactions energy: -112.733
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.254
local terms energy: -62.895397
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.605
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: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -147.628887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.628887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.628887 (E_RNA)
where:
Base-Base interactions energy: -86.638
where: short stacking energy: -43.256
Base-Backbone interact. energy: -0.023
local terms energy: -60.968339
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.936
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -164.972833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.972833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.972833 (E_RNA)
where:
Base-Base interactions energy: -101.003
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.422
local terms energy: -63.547869
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -98.200326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.200326 (E_RNA)
where:
Base-Base interactions energy: -54.454
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.543
local terms energy: -43.203582
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -87.637148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.637148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.637148 (E_RNA)
where:
Base-Base interactions energy: -44.644
where: short stacking energy: -29.492
Base-Backbone interact. energy: -0.220
local terms energy: -42.773349
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -7.357
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -72.340328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.340328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.340328 (E_RNA)
where:
Base-Base interactions energy: -26.673
where: short stacking energy: -26.673
Base-Backbone interact. energy: -0.408
local terms energy: -45.259306
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -6.119
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -79.466232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466232 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -27.921
Base-Backbone interact. energy: 0.609
local terms energy: -51.298963
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -78.907558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.907558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.907558 (E_RNA)
where:
Base-Base interactions energy: -33.923
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.025
local terms energy: -44.959904
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -172.126722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.126722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.126722 (E_RNA)
where:
Base-Base interactions energy: -115.000
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.267
local terms energy: -56.859595
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -163.790381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.790381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.790381 (E_RNA)
where:
Base-Base interactions energy: -101.277
where: short stacking energy: -46.952
Base-Backbone interact. energy: -0.031
local terms energy: -62.482395
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -179.808555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.808555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.808555 (E_RNA)
where:
Base-Base interactions energy: -114.211
where: short stacking energy: -47.797
Base-Backbone interact. energy: -0.491
local terms energy: -65.105991
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -151.968541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.968541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.968541 (E_RNA)
where:
Base-Base interactions energy: -91.334
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.108
local terms energy: -60.527110
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -153.558671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.558671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.558671 (E_RNA)
where:
Base-Base interactions energy: -98.230
where: short stacking energy: -49.253
Base-Backbone interact. energy: -0.970
local terms energy: -54.359228
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -100.134884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.134884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.134884 (E_RNA)
where:
Base-Base interactions energy: -40.823
where: short stacking energy: -40.823
Base-Backbone interact. energy: 0.581
local terms energy: -59.892783
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -97.207409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.207409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.207409 (E_RNA)
where:
Base-Base interactions energy: -53.273
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.227
local terms energy: -43.707153
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -5.566
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: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -71.799261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.799261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.799261 (E_RNA)
where:
Base-Base interactions energy: -29.109
where: short stacking energy: -4.511
Base-Backbone interact. energy: -0.143
local terms energy: -42.547036
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 6.080
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -71.111347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.111347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.111347 (E_RNA)
where:
Base-Base interactions energy: -25.795
where: short stacking energy: -22.646
Base-Backbone interact. energy: -0.236
local terms energy: -45.080085
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -77.066472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.066472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.066472 (E_RNA)
where:
Base-Base interactions energy: -33.789
where: short stacking energy: -18.637
Base-Backbone interact. energy: -0.348
local terms energy: -42.930056
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -186.813192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.813192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.813192 (E_RNA)
where:
Base-Base interactions energy: -123.697
where: short stacking energy: -45.549
Base-Backbone interact. energy: -0.673
local terms energy: -62.442631
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -170.133558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.133558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.133558 (E_RNA)
where:
Base-Base interactions energy: -98.528
where: short stacking energy: -53.468
Base-Backbone interact. energy: -0.076
local terms energy: -71.529211
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -173.337956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.337956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.337956 (E_RNA)
where:
Base-Base interactions energy: -108.855
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.369
local terms energy: -64.113271
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -170.506204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.506204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.506204 (E_RNA)
where:
Base-Base interactions energy: -102.147
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.633
local terms energy: -67.726039
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -140.699566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.699566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.699566 (E_RNA)
where:
Base-Base interactions energy: -86.523
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.014
local terms energy: -54.162164
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.253
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: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -87.762754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762754 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -21.814
Base-Backbone interact. energy: -0.136
local terms energy: -47.434457
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -88.181254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.181254 (E_RNA)
where:
Base-Base interactions energy: -46.066
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.143
local terms energy: -41.972718
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -78.566100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566100 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.047
local terms energy: -43.143145
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -4.896
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: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.846692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846692 (E_RNA)
where:
Base-Base interactions energy: -48.453
where: short stacking energy: -26.095
Base-Backbone interact. energy: 0.844
local terms energy: -39.237989
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -8.000
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.279
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: 445
Temperature: 1.350000
Total energy: -73.962937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.962937 (E_RNA)
where:
Base-Base interactions energy: -26.806
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.161
local terms energy: -46.995674
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -7.711
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -184.637586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.637586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.637586 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.264
local terms energy: -66.012982
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -170.019297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.019297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.019297 (E_RNA)
where:
Base-Base interactions energy: -108.288
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.882
local terms energy: -60.848934
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -6.030
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: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -173.164617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.164617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.164617 (E_RNA)
where:
Base-Base interactions energy: -111.848
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.100
local terms energy: -61.216171
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -163.385111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.385111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.385111 (E_RNA)
where:
Base-Base interactions energy: -98.471
where: short stacking energy: -49.233
Base-Backbone interact. energy: 0.979
local terms energy: -65.893164
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -141.120123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.120123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.120123 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.571
local terms energy: -50.263454
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -6.322
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -87.354493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.354493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.354493 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.133
local terms energy: -58.471597
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -80.708284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708284 (E_RNA)
where:
Base-Base interactions energy: -36.212
where: short stacking energy: -25.474
Base-Backbone interact. energy: -0.006
local terms energy: -44.490748
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -84.733479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.733479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.733479 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -27.948
Base-Backbone interact. energy: -0.348
local terms energy: -49.129291
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -71.163396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.163396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.163396 (E_RNA)
where:
Base-Base interactions energy: -23.137
where: short stacking energy: -22.480
Base-Backbone interact. energy: -0.159
local terms energy: -47.867116
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -69.524901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.524901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.524901 (E_RNA)
where:
Base-Base interactions energy: -27.016
where: short stacking energy: -22.974
Base-Backbone interact. energy: -0.114
local terms energy: -42.394679
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: 1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -180.454561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454561 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.788
local terms energy: -68.793380
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -183.826170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.826170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.826170 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.576
local terms energy: -64.858989
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -159.589196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.589196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589196 (E_RNA)
where:
Base-Base interactions energy: -94.613
where: short stacking energy: -43.475
Base-Backbone interact. energy: -0.003
local terms energy: -64.973397
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -15.085
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -160.055337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.055337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.055337 (E_RNA)
where:
Base-Base interactions energy: -96.617
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.158
local terms energy: -63.280321
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -155.281612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.281612 (E_RNA)
where:
Base-Base interactions energy: -94.064
where: short stacking energy: -48.682
Base-Backbone interact. energy: -0.096
local terms energy: -61.121381
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -88.201092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201092 (E_RNA)
where:
Base-Base interactions energy: -36.227
where: short stacking energy: -29.466
Base-Backbone interact. energy: 0.219
local terms energy: -52.192562
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -78.017602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.017602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.017602 (E_RNA)
where:
Base-Base interactions energy: -29.610
where: short stacking energy: -23.534
Base-Backbone interact. energy: -0.048
local terms energy: -48.359475
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -81.273207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.273207 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -39.198
Base-Backbone interact. energy: 3.835
local terms energy: -44.272039
where:
bonds (distance) C4'-P energy: -5.432
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -70.913471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.913471 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -29.887
Base-Backbone interact. energy: 3.736
local terms energy: -43.545489
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.232512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.232512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.232512 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -33.557
Base-Backbone interact. energy: 0.399
local terms energy: -34.780938
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: 0.561
tors. eta vs tors. theta energy: -5.678
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: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -176.927242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.927242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.927242 (E_RNA)
where:
Base-Base interactions energy: -110.832
where: short stacking energy: -51.237
Base-Backbone interact. energy: -0.319
local terms energy: -65.777165
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -177.835555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.835555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.835555 (E_RNA)
where:
Base-Base interactions energy: -117.124
where: short stacking energy: -55.114
Base-Backbone interact. energy: -0.262
local terms energy: -60.449900
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -165.754657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.754657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.754657 (E_RNA)
where:
Base-Base interactions energy: -105.000
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.317
local terms energy: -60.437530
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -152.767947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.767947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.767947 (E_RNA)
where:
Base-Base interactions energy: -104.653
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.258
local terms energy: -47.856474
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -148.887368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.887368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.887368 (E_RNA)
where:
Base-Base interactions energy: -93.129
where: short stacking energy: -51.540
Base-Backbone interact. energy: -0.321
local terms energy: -55.437603
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -87.984160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.984160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.984160 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -28.541
Base-Backbone interact. energy: -0.073
local terms energy: -54.486874
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -4.047
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -91.361229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.361229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.361229 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.199
local terms energy: -46.101823
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -79.678945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.678945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.678945 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.051
local terms energy: -46.352071
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -2.317
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: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -77.339986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.339986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.339986 (E_RNA)
where:
Base-Base interactions energy: -26.424
where: short stacking energy: -26.424
Base-Backbone interact. energy: 0.445
local terms energy: -51.360410
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -75.037606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.037606 (E_RNA)
where:
Base-Base interactions energy: -27.346
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.137
local terms energy: -47.554744
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -4.562
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: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -182.792096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.792096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.792096 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -54.742
Base-Backbone interact. energy: -0.002
local terms energy: -69.465432
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -182.393766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.393766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.393766 (E_RNA)
where:
Base-Base interactions energy: -111.902
where: short stacking energy: -60.245
Base-Backbone interact. energy: -0.169
local terms energy: -70.323509
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -166.222682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.222682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.222682 (E_RNA)
where:
Base-Base interactions energy: -106.937
where: short stacking energy: -45.731
Base-Backbone interact. energy: -0.022
local terms energy: -59.264224
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -145.198095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.198095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.198095 (E_RNA)
where:
Base-Base interactions energy: -91.429
where: short stacking energy: -33.523
Base-Backbone interact. energy: -1.135
local terms energy: -52.634266
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -137.522193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.522193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.522193 (E_RNA)
where:
Base-Base interactions energy: -87.787
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.140
local terms energy: -49.595778
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -99.806889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.806889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.806889 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.023
local terms energy: -52.056848
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -75.749006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.749006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.749006 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.044
local terms energy: -43.587855
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -74.634583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634583 (E_RNA)
where:
Base-Base interactions energy: -38.184
where: short stacking energy: -34.058
Base-Backbone interact. energy: 0.008
local terms energy: -36.458538
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -6.859
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -80.705960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705960 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.216
local terms energy: -42.874352
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -8.768
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -4.874
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: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -74.854812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.854812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.854812 (E_RNA)
where:
Base-Base interactions energy: -32.698
where: short stacking energy: -20.603
Base-Backbone interact. energy: -0.154
local terms energy: -42.002299
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -178.630385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.630385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.630385 (E_RNA)
where:
Base-Base interactions energy: -119.529
where: short stacking energy: -56.195
Base-Backbone interact. energy: -1.274
local terms energy: -57.827285
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -13.393
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: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -178.267293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.267293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.267293 (E_RNA)
where:
Base-Base interactions energy: -109.719
where: short stacking energy: -49.970
Base-Backbone interact. energy: -0.161
local terms energy: -68.387395
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -169.628590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.628590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.628590 (E_RNA)
where:
Base-Base interactions energy: -121.293
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.062
local terms energy: -48.274077
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -171.305972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.305972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.305972 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.539
local terms energy: -51.921567
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -14.433
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: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -145.776899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.776899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.776899 (E_RNA)
where:
Base-Base interactions energy: -90.554
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.134
local terms energy: -55.088848
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -11.248
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: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -92.004690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004690 (E_RNA)
where:
Base-Base interactions energy: -47.095
where: short stacking energy: -41.778
Base-Backbone interact. energy: 0.951
local terms energy: -45.860928
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -76.940657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.940657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.940657 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -28.473
Base-Backbone interact. energy: -0.130
local terms energy: -48.337323
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -128.219025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.219025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.219025 (E_RNA)
where:
Base-Base interactions energy: -76.135
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.014
local terms energy: -52.070137
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -85.580716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.580716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.580716 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -26.383
Base-Backbone interact. energy: -0.486
local terms energy: -41.026772
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -67.180567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.180567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.180567 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -26.969
Base-Backbone interact. energy: -0.093
local terms energy: -39.607872
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -186.786845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.786845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.786845 (E_RNA)
where:
Base-Base interactions energy: -114.148
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.251
local terms energy: -72.386925
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -10.070
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: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -196.117750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.117750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.117750 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.498
local terms energy: -60.856636
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -163.009710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.009710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.009710 (E_RNA)
where:
Base-Base interactions energy: -101.740
where: short stacking energy: -47.328
Base-Backbone interact. energy: -0.682
local terms energy: -60.587504
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -8.546
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: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -138.169948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.169948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.169948 (E_RNA)
where:
Base-Base interactions energy: -84.293
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.127
local terms energy: -53.749327
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -8.907
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: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -162.184433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.184433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.184433 (E_RNA)
where:
Base-Base interactions energy: -102.315
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.658
local terms energy: -59.211646
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -91.020441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.020441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.020441 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.031
local terms energy: -45.464241
where:
bonds (distance) C4'-P energy: -7.544
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -97.845151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.845151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.845151 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -42.819
Base-Backbone interact. energy: -0.002
local terms energy: -55.024274
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -92.187251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.187251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.187251 (E_RNA)
where:
Base-Base interactions energy: -51.468
where: short stacking energy: -21.632
Base-Backbone interact. energy: -0.354
local terms energy: -40.365224
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -8.714
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -76.591936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.591936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.591936 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.586
local terms energy: -41.213542
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -6.020
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -80.704358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.704358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.704358 (E_RNA)
where:
Base-Base interactions energy: -29.698
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.112
local terms energy: -50.894470
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -196.134026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.134026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.134026 (E_RNA)
where:
Base-Base interactions energy: -134.063
where: short stacking energy: -52.365
Base-Backbone interact. energy: -0.075
local terms energy: -61.996517
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -180.928508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.928508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.928508 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.217
local terms energy: -69.902280
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -157.566596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.566596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.566596 (E_RNA)
where:
Base-Base interactions energy: -94.181
where: short stacking energy: -49.917
Base-Backbone interact. energy: 0.031
local terms energy: -63.417064
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -12.405
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: 452
Temperature: 1.050000
Total energy: -133.306474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.306474 (E_RNA)
where:
Base-Base interactions energy: -78.941
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.260
local terms energy: -54.106066
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.682
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: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -156.031720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.031720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.031720 (E_RNA)
where:
Base-Base interactions energy: -97.486
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.049
local terms energy: -58.496377
where:
bonds (distance) C4'-P energy: -4.878
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -12.458
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: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -83.997071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.997071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.997071 (E_RNA)
where:
Base-Base interactions energy: -42.546
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.487
local terms energy: -40.964416
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -82.689238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.689238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.689238 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.120
local terms energy: -53.353147
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -8.021
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: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -70.214463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.214463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.214463 (E_RNA)
where:
Base-Base interactions energy: -26.048
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.143
local terms energy: -44.023088
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -86.598681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.598681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.598681 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -23.406
Base-Backbone interact. energy: -1.132
local terms energy: -53.242429
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -78.235833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.235833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.235833 (E_RNA)
where:
Base-Base interactions energy: -27.497
where: short stacking energy: -22.618
Base-Backbone interact. energy: -0.524
local terms energy: -50.214046
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -190.963452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.963452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.963452 (E_RNA)
where:
Base-Base interactions energy: -131.373
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.906
local terms energy: -58.684784
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -11.697
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: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -182.652672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.652672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.652672 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.001
local terms energy: -73.823612
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -20.675
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: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -168.888336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.888336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.888336 (E_RNA)
where:
Base-Base interactions energy: -112.453
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.102
local terms energy: -56.333388
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -152.820876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.820876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.820876 (E_RNA)
where:
Base-Base interactions energy: -89.553
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.059
local terms energy: -63.209717
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.337
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -134.849101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.849101 (E_RNA)
where:
Base-Base interactions energy: -76.051
where: short stacking energy: -43.221
Base-Backbone interact. energy: -0.082
local terms energy: -58.715575
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -104.561400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.561400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.561400 (E_RNA)
where:
Base-Base interactions energy: -51.300
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.021
local terms energy: -53.239829
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.531
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: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -100.925235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.925235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.925235 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -28.702
Base-Backbone interact. energy: 0.494
local terms energy: -55.227594
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -6.464
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: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -87.842665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.842665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.842665 (E_RNA)
where:
Base-Base interactions energy: -38.379
where: short stacking energy: -27.032
Base-Backbone interact. energy: -0.008
local terms energy: -49.454811
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -6.757
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -76.320785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.320785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.320785 (E_RNA)
where:
Base-Base interactions energy: -26.854
where: short stacking energy: -24.861
Base-Backbone interact. energy: -0.095
local terms energy: -49.371882
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -67.338993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.338993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.338993 (E_RNA)
where:
Base-Base interactions energy: -24.586
where: short stacking energy: -24.586
Base-Backbone interact. energy: -0.017
local terms energy: -42.735889
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -7.472
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -5.483
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: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -185.998728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.998728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.998728 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.239
local terms energy: -69.809632
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.850
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: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -192.218260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.218260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.218260 (E_RNA)
where:
Base-Base interactions energy: -130.044
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.104
local terms energy: -62.070564
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -163.352832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.352832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.352832 (E_RNA)
where:
Base-Base interactions energy: -105.675
where: short stacking energy: -36.748
Base-Backbone interact. energy: -0.554
local terms energy: -57.124605
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -166.017917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.017917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.017917 (E_RNA)
where:
Base-Base interactions energy: -102.113
where: short stacking energy: -46.196
Base-Backbone interact. energy: -0.260
local terms energy: -63.644759
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -12.503
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: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -152.574989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.574989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.574989 (E_RNA)
where:
Base-Base interactions energy: -89.838
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.006
local terms energy: -62.730283
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -83.371943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.371943 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.295
local terms energy: -46.409786
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.172
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: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -93.512868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512868 (E_RNA)
where:
Base-Base interactions energy: -45.318
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.897
local terms energy: -47.297377
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -4.519
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: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -92.851889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851889 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.064
local terms energy: -52.759232
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -81.746045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.746045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.746045 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -16.903
Base-Backbone interact. energy: -0.151
local terms energy: -47.428883
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -0.184
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: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -64.367008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.367008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.367008 (E_RNA)
where:
Base-Base interactions energy: -16.884
where: short stacking energy: -16.884
Base-Backbone interact. energy: -0.265
local terms energy: -47.218375
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -177.101409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.101409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.101409 (E_RNA)
where:
Base-Base interactions energy: -107.894
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.343
local terms energy: -68.864849
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -19.365
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -195.774388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.774388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.774388 (E_RNA)
where:
Base-Base interactions energy: -138.495
where: short stacking energy: -54.262
Base-Backbone interact. energy: -0.798
local terms energy: -56.482106
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -6.747
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -166.441032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.441032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.441032 (E_RNA)
where:
Base-Base interactions energy: -100.407
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.799
local terms energy: -65.235409
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -161.975102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.975102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.975102 (E_RNA)
where:
Base-Base interactions energy: -103.279
where: short stacking energy: -46.058
Base-Backbone interact. energy: -0.098
local terms energy: -58.597767
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -155.114965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.114965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.114965 (E_RNA)
where:
Base-Base interactions energy: -87.201
where: short stacking energy: -46.571
Base-Backbone interact. energy: -0.010
local terms energy: -67.903393
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -82.645042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.645042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.645042 (E_RNA)
where:
Base-Base interactions energy: -26.897
where: short stacking energy: -16.750
Base-Backbone interact. energy: -0.235
local terms energy: -55.512544
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -7.887
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: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -85.190047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190047 (E_RNA)
where:
Base-Base interactions energy: -28.558
where: short stacking energy: -27.075
Base-Backbone interact. energy: -1.096
local terms energy: -55.536076
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -75.696095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.696095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.696095 (E_RNA)
where:
Base-Base interactions energy: -25.254
where: short stacking energy: -25.254
Base-Backbone interact. energy: -0.101
local terms energy: -50.341739
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -86.930992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.930992 (E_RNA)
where:
Base-Base interactions energy: -42.931
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.081
local terms energy: -43.918546
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -0.296
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -75.316050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.316050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.316050 (E_RNA)
where:
Base-Base interactions energy: -31.541
where: short stacking energy: -23.708
Base-Backbone interact. energy: 0.149
local terms energy: -43.923634
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -3.407
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: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -189.759269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.759269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.759269 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -50.560
Base-Backbone interact. energy: -0.242
local terms energy: -63.141721
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -183.044732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.044732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.044732 (E_RNA)
where:
Base-Base interactions energy: -116.109
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.020
local terms energy: -66.915653
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -15.237
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: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -171.415180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.415180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.415180 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.085
local terms energy: -59.959634
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -166.803157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.803157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.803157 (E_RNA)
where:
Base-Base interactions energy: -103.565
where: short stacking energy: -46.736
Base-Backbone interact. energy: -0.595
local terms energy: -62.643046
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -140.137548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.137548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.137548 (E_RNA)
where:
Base-Base interactions energy: -87.199
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.106
local terms energy: -52.832642
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -99.942411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.942411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.942411 (E_RNA)
where:
Base-Base interactions energy: -53.722
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.201
local terms energy: -46.019059
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -3.844
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: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -88.816508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816508 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -30.076
Base-Backbone interact. energy: -1.291
local terms energy: -57.279427
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -82.221925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221925 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -19.957
Base-Backbone interact. energy: -0.940
local terms energy: -43.157183
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -8.332
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -81.235258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235258 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.034
local terms energy: -49.021662
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -6.552
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -72.574410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.574410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.574410 (E_RNA)
where:
Base-Base interactions energy: -20.964
where: short stacking energy: -16.084
Base-Backbone interact. energy: -0.073
local terms energy: -51.537564
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.100
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: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -199.752559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.752559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.752559 (E_RNA)
where:
Base-Base interactions energy: -134.423
where: short stacking energy: -52.533
Base-Backbone interact. energy: -0.111
local terms energy: -65.218630
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -13.382
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -177.176305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.176305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.176305 (E_RNA)
where:
Base-Base interactions energy: -109.974
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.096
local terms energy: -67.106869
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.337
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: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -167.283000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.283000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.283000 (E_RNA)
where:
Base-Base interactions energy: -105.594
where: short stacking energy: -51.717
Base-Backbone interact. energy: -1.445
local terms energy: -60.243571
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -154.647487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.647487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.647487 (E_RNA)
where:
Base-Base interactions energy: -94.888
where: short stacking energy: -40.832
Base-Backbone interact. energy: -0.117
local terms energy: -59.642120
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -154.032896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.032896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.032896 (E_RNA)
where:
Base-Base interactions energy: -95.358
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.462
local terms energy: -58.212118
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -12.086
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -82.275679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.275679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.275679 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -26.788
Base-Backbone interact. energy: -0.236
local terms energy: -42.275454
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -2.471
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: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -90.299780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.299780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.299780 (E_RNA)
where:
Base-Base interactions energy: -42.483
where: short stacking energy: -38.375
Base-Backbone interact. energy: 0.766
local terms energy: -48.582719
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -81.204500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.204500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.204500 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -28.523
Base-Backbone interact. energy: -0.160
local terms energy: -50.759785
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -84.018655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018655 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -25.864
Base-Backbone interact. energy: -0.781
local terms energy: -50.839290
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.668297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668297 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.461
Base-Backbone interact. energy: -1.234
local terms energy: -47.668293
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -183.835598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835598 (E_RNA)
where:
Base-Base interactions energy: -114.990
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.279
local terms energy: -68.565723
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.874
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: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -184.677031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.677031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677031 (E_RNA)
where:
Base-Base interactions energy: -125.044
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.124
local terms energy: -59.508647
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -12.048
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: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -161.891185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.891185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.891185 (E_RNA)
where:
Base-Base interactions energy: -108.045
where: short stacking energy: -45.518
Base-Backbone interact. energy: -0.241
local terms energy: -53.604849
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -164.702918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.702918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.702918 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.167
local terms energy: -62.431902
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -13.949
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: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -159.423163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.423163 (E_RNA)
where:
Base-Base interactions energy: -98.132
where: short stacking energy: -56.652
Base-Backbone interact. energy: 0.406
local terms energy: -61.697864
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -11.227
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: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -101.206498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.206498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.206498 (E_RNA)
where:
Base-Base interactions energy: -61.184
where: short stacking energy: -39.785
Base-Backbone interact. energy: 1.967
local terms energy: -41.988661
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -3.670
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: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -91.691181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.691181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.691181 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -38.883
Base-Backbone interact. energy: -0.255
local terms energy: -48.390429
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -9.437
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: 458
Temperature: 1.250000
Total energy: -73.733444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.733444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.733444 (E_RNA)
where:
Base-Base interactions energy: -21.835
where: short stacking energy: -21.534
Base-Backbone interact. energy: -0.325
local terms energy: -51.573891
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -86.349769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.349769 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -19.764
Base-Backbone interact. energy: -0.111
local terms energy: -41.749772
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -71.015981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.015981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.015981 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -15.922
Base-Backbone interact. energy: -0.058
local terms energy: -43.885183
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -182.934691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.934691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.934691 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -59.325
Base-Backbone interact. energy: -1.392
local terms energy: -72.135562
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -176.138016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.138016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.138016 (E_RNA)
where:
Base-Base interactions energy: -113.270
where: short stacking energy: -50.967
Base-Backbone interact. energy: -0.670
local terms energy: -62.198383
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -163.904235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.904235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.904235 (E_RNA)
where:
Base-Base interactions energy: -101.053
where: short stacking energy: -47.996
Base-Backbone interact. energy: -0.218
local terms energy: -62.634046
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -170.440154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.440154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.440154 (E_RNA)
where:
Base-Base interactions energy: -103.605
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.200
local terms energy: -66.635554
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -155.135131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.135131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.135131 (E_RNA)
where:
Base-Base interactions energy: -95.079
where: short stacking energy: -48.771
Base-Backbone interact. energy: 0.509
local terms energy: -60.564748
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -8.512
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -109.726853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.726853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.726853 (E_RNA)
where:
Base-Base interactions energy: -59.780
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.300
local terms energy: -49.646468
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -92.669019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669019 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.249
local terms energy: -54.296875
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -76.784613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.784613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.784613 (E_RNA)
where:
Base-Base interactions energy: -27.606
where: short stacking energy: -25.094
Base-Backbone interact. energy: -0.126
local terms energy: -49.053085
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -76.587845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587845 (E_RNA)
where:
Base-Base interactions energy: -26.975
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.457
local terms energy: -49.155724
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.871126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.871126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.871126 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -24.602
Base-Backbone interact. energy: -0.168
local terms energy: -37.381348
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: 1.513
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: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -186.382085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.382085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.382085 (E_RNA)
where:
Base-Base interactions energy: -114.074
where: short stacking energy: -52.441
Base-Backbone interact. energy: -0.630
local terms energy: -71.677963
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -18.237
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: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -166.520035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.520035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.520035 (E_RNA)
where:
Base-Base interactions energy: -103.869
where: short stacking energy: -42.483
Base-Backbone interact. energy: -0.998
local terms energy: -61.653161
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -11.634
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -179.041188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.041188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.041188 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -49.697
Base-Backbone interact. energy: -0.151
local terms energy: -64.400232
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -167.741029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.741029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.741029 (E_RNA)
where:
Base-Base interactions energy: -101.459
where: short stacking energy: -50.276
Base-Backbone interact. energy: -0.415
local terms energy: -65.867414
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -140.634245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.634245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.634245 (E_RNA)
where:
Base-Base interactions energy: -83.173
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.556
local terms energy: -56.904760
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.562
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: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -105.231594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.231594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.231594 (E_RNA)
where:
Base-Base interactions energy: -61.581
where: short stacking energy: -36.059
Base-Backbone interact. energy: 0.400
local terms energy: -44.051015
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -3.500
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: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -95.741493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.741493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.741493 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.114
local terms energy: -47.846678
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -78.986944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.986944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.986944 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.312
local terms energy: -49.592947
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -7.398
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -73.122164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.122164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.122164 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -20.937
Base-Backbone interact. energy: -0.154
local terms energy: -35.305334
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -5.777
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -80.923927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.923927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.923927 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.177
local terms energy: -45.907526
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -180.172521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.172521 (E_RNA)
where:
Base-Base interactions energy: -112.143
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.412
local terms energy: -67.617480
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.558
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: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -170.619697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.619697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.619697 (E_RNA)
where:
Base-Base interactions energy: -104.354
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.691
local terms energy: -65.574517
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -169.765017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.765017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.765017 (E_RNA)
where:
Base-Base interactions energy: -104.014
where: short stacking energy: -47.249
Base-Backbone interact. energy: -0.747
local terms energy: -65.003815
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -170.874534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.874534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.874534 (E_RNA)
where:
Base-Base interactions energy: -106.833
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.162
local terms energy: -63.879838
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -141.684949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.684949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.684949 (E_RNA)
where:
Base-Base interactions energy: -77.750
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.198
local terms energy: -63.736721
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -10.705
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: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -94.248529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248529 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.388
local terms energy: -55.950885
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -9.350
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: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -91.611062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611062 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.156
local terms energy: -57.868339
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -11.673
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -83.224336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.224336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.224336 (E_RNA)
where:
Base-Base interactions energy: -43.794
where: short stacking energy: -24.099
Base-Backbone interact. energy: -0.404
local terms energy: -39.025720
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -1.650
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -67.473099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.473099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.473099 (E_RNA)
where:
Base-Base interactions energy: -20.327
where: short stacking energy: -19.207
Base-Backbone interact. energy: -0.153
local terms energy: -46.993570
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.964869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.964869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.964869 (E_RNA)
where:
Base-Base interactions energy: -32.465
where: short stacking energy: -22.062
Base-Backbone interact. energy: -0.677
local terms energy: -44.822656
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -6.417
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: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -180.131746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.131746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.131746 (E_RNA)
where:
Base-Base interactions energy: -112.469
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.218
local terms energy: -67.445049
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.811
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: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -174.924804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.924804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.924804 (E_RNA)
where:
Base-Base interactions energy: -113.787
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.188
local terms energy: -60.949456
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -171.395195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395195 (E_RNA)
where:
Base-Base interactions energy: -105.031
where: short stacking energy: -42.851
Base-Backbone interact. energy: -0.018
local terms energy: -66.346780
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -161.550526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.550526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.550526 (E_RNA)
where:
Base-Base interactions energy: -102.797
where: short stacking energy: -47.795
Base-Backbone interact. energy: 2.245
local terms energy: -60.998259
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -146.151662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.151662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.151662 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -51.658
Base-Backbone interact. energy: -0.031
local terms energy: -52.168799
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -98.720915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.720915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.720915 (E_RNA)
where:
Base-Base interactions energy: -47.871
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.124
local terms energy: -50.725717
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -6.588
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: 462
Temperature: 1.200000
Total energy: -113.351956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.351956 (E_RNA)
where:
Base-Base interactions energy: -67.326
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.363
local terms energy: -45.662500
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -1.981
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -74.322037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.322037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.322037 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -19.026
Base-Backbone interact. energy: 0.737
local terms energy: -45.456059
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -4.046
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -76.681610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.681610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.681610 (E_RNA)
where:
Base-Base interactions energy: -24.608
where: short stacking energy: -24.338
Base-Backbone interact. energy: -0.060
local terms energy: -52.013297
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -67.334714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.334714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.334714 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.955
local terms energy: -35.130089
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -7.067
flat angles C4'-P-C4' energy: -6.998
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -177.690137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.690137 (E_RNA)
where:
Base-Base interactions energy: -113.524
where: short stacking energy: -52.822
Base-Backbone interact. energy: -0.013
local terms energy: -64.153856
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -168.470130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.470130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.470130 (E_RNA)
where:
Base-Base interactions energy: -96.903
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.053
local terms energy: -71.514633
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -170.801988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.801988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.801988 (E_RNA)
where:
Base-Base interactions energy: -103.330
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.009
local terms energy: -67.463155
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -166.472747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.472747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.472747 (E_RNA)
where:
Base-Base interactions energy: -102.835
where: short stacking energy: -47.167
Base-Backbone interact. energy: -0.688
local terms energy: -62.949400
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -14.763
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: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -157.767132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.767132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.767132 (E_RNA)
where:
Base-Base interactions energy: -98.369
where: short stacking energy: -53.287
Base-Backbone interact. energy: 0.135
local terms energy: -59.532787
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -93.353890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353890 (E_RNA)
where:
Base-Base interactions energy: -40.303
where: short stacking energy: -27.468
Base-Backbone interact. energy: -0.173
local terms energy: -52.877169
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -5.990
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: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -87.045275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.045275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.045275 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -34.846
Base-Backbone interact. energy: -0.015
local terms energy: -52.184676
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -89.566421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.566421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.566421 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -31.891
Base-Backbone interact. energy: -0.211
local terms energy: -48.455400
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -83.746002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.746002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.746002 (E_RNA)
where:
Base-Base interactions energy: -31.588
where: short stacking energy: -31.229
Base-Backbone interact. energy: -0.249
local terms energy: -51.909684
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -9.062
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -68.101609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.101609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.101609 (E_RNA)
where:
Base-Base interactions energy: -22.998
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.434
local terms energy: -44.669507
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -175.242186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.242186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.242186 (E_RNA)
where:
Base-Base interactions energy: -113.542
where: short stacking energy: -47.033
Base-Backbone interact. energy: -0.828
local terms energy: -60.872646
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -7.889
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: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -170.630192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.630192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.630192 (E_RNA)
where:
Base-Base interactions energy: -114.443
where: short stacking energy: -44.590
Base-Backbone interact. energy: -1.159
local terms energy: -55.028476
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -175.100739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.100739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.100739 (E_RNA)
where:
Base-Base interactions energy: -106.371
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.431
local terms energy: -68.298658
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -157.619058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.619058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.619058 (E_RNA)
where:
Base-Base interactions energy: -96.003
where: short stacking energy: -47.148
Base-Backbone interact. energy: -0.356
local terms energy: -61.259810
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -160.828712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.828712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.828712 (E_RNA)
where:
Base-Base interactions energy: -98.472
where: short stacking energy: -42.895
Base-Backbone interact. energy: -0.437
local terms energy: -61.920228
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -12.878
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: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -87.469338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.469338 (E_RNA)
where:
Base-Base interactions energy: -39.130
where: short stacking energy: -21.318
Base-Backbone interact. energy: 0.862
local terms energy: -49.200828
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.190
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: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -87.427281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.427281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.427281 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -35.964
Base-Backbone interact. energy: -0.091
local terms energy: -51.340294
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -8.707
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: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -78.204170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.204170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.204170 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.261
local terms energy: -43.078633
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -69.436628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.436628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.436628 (E_RNA)
where:
Base-Base interactions energy: -26.649
where: short stacking energy: -24.174
Base-Backbone interact. energy: 0.430
local terms energy: -43.217412
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -3.280
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: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -79.445132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.445132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.445132 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -23.173
Base-Backbone interact. energy: -0.167
local terms energy: -50.063195
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -181.193763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.193763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.193763 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.786
local terms energy: -71.903330
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -164.079408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.079408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.079408 (E_RNA)
where:
Base-Base interactions energy: -106.559
where: short stacking energy: -43.116
Base-Backbone interact. energy: -0.015
local terms energy: -57.505793
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -172.225991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.225991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.225991 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -47.940
Base-Backbone interact. energy: -0.106
local terms energy: -56.414846
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -165.422217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.422217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.422217 (E_RNA)
where:
Base-Base interactions energy: -103.454
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.485
local terms energy: -61.483767
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -161.041218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.041218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.041218 (E_RNA)
where:
Base-Base interactions energy: -94.463
where: short stacking energy: -40.133
Base-Backbone interact. energy: -0.129
local terms energy: -66.449250
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -11.332
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -138.005414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.005414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.005414 (E_RNA)
where:
Base-Base interactions energy: -83.129
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.180
local terms energy: -54.696074
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -112.411865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.411865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.411865 (E_RNA)
where:
Base-Base interactions energy: -62.861
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.219
local terms energy: -49.332353
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -76.413648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413648 (E_RNA)
where:
Base-Base interactions energy: -37.104
where: short stacking energy: -18.973
Base-Backbone interact. energy: -0.125
local terms energy: -39.184986
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 4.681
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: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -87.141462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.141462 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.078
local terms energy: -48.385671
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -70.222918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.222918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.222918 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.182
local terms energy: -34.716266
where:
bonds (distance) C4'-P energy: -3.992
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -178.691337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.691337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.691337 (E_RNA)
where:
Base-Base interactions energy: -111.111
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.109
local terms energy: -67.471234
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -169.736148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.736148 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.186
local terms energy: -60.205444
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -173.645202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.645202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.645202 (E_RNA)
where:
Base-Base interactions energy: -106.750
where: short stacking energy: -45.781
Base-Backbone interact. energy: -1.119
local terms energy: -65.776189
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -174.075554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.075554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.075554 (E_RNA)
where:
Base-Base interactions energy: -106.180
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.047
local terms energy: -67.848123
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -139.549822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.549822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.549822 (E_RNA)
where:
Base-Base interactions energy: -80.245
where: short stacking energy: -49.256
Base-Backbone interact. energy: -0.004
local terms energy: -59.301307
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -157.231155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.231155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.231155 (E_RNA)
where:
Base-Base interactions energy: -96.513
where: short stacking energy: -47.334
Base-Backbone interact. energy: -0.117
local terms energy: -60.600967
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -9.358
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: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -129.197840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.197840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.197840 (E_RNA)
where:
Base-Base interactions energy: -79.430
where: short stacking energy: -35.646
Base-Backbone interact. energy: -0.113
local terms energy: -49.654646
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -8.481
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -77.919292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.919292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.919292 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -37.018
Base-Backbone interact. energy: 0.634
local terms energy: -41.536195
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -3.878
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -9.988
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: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -72.647678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.647678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.647678 (E_RNA)
where:
Base-Base interactions energy: -22.371
where: short stacking energy: -22.371
Base-Backbone interact. energy: -0.222
local terms energy: -50.054392
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -72.893358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.893358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.893358 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -27.037
Base-Backbone interact. energy: 2.162
local terms energy: -48.018095
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -177.739414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.739414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739414 (E_RNA)
where:
Base-Base interactions energy: -104.669
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.327
local terms energy: -72.744341
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -168.534263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.534263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.534263 (E_RNA)
where:
Base-Base interactions energy: -109.342
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.292
local terms energy: -58.900476
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -170.857409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.857409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.857409 (E_RNA)
where:
Base-Base interactions energy: -113.639
where: short stacking energy: -49.778
Base-Backbone interact. energy: -0.865
local terms energy: -56.353728
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -166.271001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.271001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271001 (E_RNA)
where:
Base-Base interactions energy: -104.456
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.233
local terms energy: -61.581816
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -122.059408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.059408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.059408 (E_RNA)
where:
Base-Base interactions energy: -69.104
where: short stacking energy: -30.610
Base-Backbone interact. energy: 0.156
local terms energy: -53.111552
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -148.016168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.016168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.016168 (E_RNA)
where:
Base-Base interactions energy: -85.362
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.110
local terms energy: -62.543521
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -145.130346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.130346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.130346 (E_RNA)
where:
Base-Base interactions energy: -97.160
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.816
local terms energy: -47.153860
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -87.457709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.457709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.457709 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.026
local terms energy: -56.791975
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -67.264383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.264383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.264383 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -18.713
Base-Backbone interact. energy: -0.293
local terms energy: -39.728849
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -69.414730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.414730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.414730 (E_RNA)
where:
Base-Base interactions energy: -32.178
where: short stacking energy: -29.512
Base-Backbone interact. energy: 0.079
local terms energy: -37.314892
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -2.110
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -186.815509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.815509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.815509 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.833
local terms energy: -66.354847
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -190.700439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.700439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.700439 (E_RNA)
where:
Base-Base interactions energy: -120.474
where: short stacking energy: -62.863
Base-Backbone interact. energy: -0.248
local terms energy: -69.978485
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -168.303139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.303139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.303139 (E_RNA)
where:
Base-Base interactions energy: -115.736
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.034
local terms energy: -52.533324
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.668
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: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -158.874637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.874637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.874637 (E_RNA)
where:
Base-Base interactions energy: -94.934
where: short stacking energy: -40.761
Base-Backbone interact. energy: -0.086
local terms energy: -63.854562
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -133.693644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.693644 (E_RNA)
where:
Base-Base interactions energy: -81.024
where: short stacking energy: -44.216
Base-Backbone interact. energy: 0.355
local terms energy: -53.024104
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -136.728815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.728815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.728815 (E_RNA)
where:
Base-Base interactions energy: -78.159
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.013
local terms energy: -58.557500
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -150.476233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.476233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.476233 (E_RNA)
where:
Base-Base interactions energy: -90.450
where: short stacking energy: -48.722
Base-Backbone interact. energy: 1.014
local terms energy: -61.039740
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -10.727
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: 468
Temperature: 1.250000
Total energy: -75.367290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.367290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.367290 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -26.417
Base-Backbone interact. energy: 1.434
local terms energy: -44.858974
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: 0.485
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -68.807983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.807983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.807983 (E_RNA)
where:
Base-Base interactions energy: -28.962
where: short stacking energy: -20.533
Base-Backbone interact. energy: 1.903
local terms energy: -41.749129
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -8.330
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: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -82.106282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.106282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.106282 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -14.919
Base-Backbone interact. energy: -0.248
local terms energy: -46.025337
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -193.085863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085863 (E_RNA)
where:
Base-Base interactions energy: -124.374
where: short stacking energy: -64.700
Base-Backbone interact. energy: -0.466
local terms energy: -68.246176
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -180.936262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.936262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.936262 (E_RNA)
where:
Base-Base interactions energy: -110.742
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.749
local terms energy: -69.444625
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -176.384137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.384137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.384137 (E_RNA)
where:
Base-Base interactions energy: -105.252
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.074
local terms energy: -71.058721
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -16.251
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -163.944699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.944699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.944699 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.058
local terms energy: -57.598212
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -13.876
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: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -123.539206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.539206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.539206 (E_RNA)
where:
Base-Base interactions energy: -67.550
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.724
local terms energy: -55.264993
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -148.628752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.628752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.628752 (E_RNA)
where:
Base-Base interactions energy: -92.183
where: short stacking energy: -52.633
Base-Backbone interact. energy: -0.045
local terms energy: -56.401171
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -117.529076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.529076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.529076 (E_RNA)
where:
Base-Base interactions energy: -58.661
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.035
local terms energy: -58.833001
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -78.426979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.426979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.426979 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.050
local terms energy: -47.216203
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -67.571589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.571589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.571589 (E_RNA)
where:
Base-Base interactions energy: -20.734
where: short stacking energy: -18.855
Base-Backbone interact. energy: 1.385
local terms energy: -48.222433
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: 1.318
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: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -77.261642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.261642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.261642 (E_RNA)
where:
Base-Base interactions energy: -27.345
where: short stacking energy: -21.996
Base-Backbone interact. energy: -0.722
local terms energy: -49.194893
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -8.367
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: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -171.816407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.816407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.816407 (E_RNA)
where:
Base-Base interactions energy: -107.404
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.094
local terms energy: -64.318577
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -179.017613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.017613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017613 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.001
local terms energy: -64.123345
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -169.964762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.964762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.964762 (E_RNA)
where:
Base-Base interactions energy: -101.946
where: short stacking energy: -54.045
Base-Backbone interact. energy: -0.173
local terms energy: -67.846321
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -163.688119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.688119 (E_RNA)
where:
Base-Base interactions energy: -98.404
where: short stacking energy: -52.416
Base-Backbone interact. energy: -0.560
local terms energy: -64.724102
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -155.571253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.571253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.571253 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.294
local terms energy: -50.483392
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -124.783675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.783675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.783675 (E_RNA)
where:
Base-Base interactions energy: -68.791
where: short stacking energy: -42.327
Base-Backbone interact. energy: -0.001
local terms energy: -55.991797
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -94.738882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.738882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.738882 (E_RNA)
where:
Base-Base interactions energy: -41.750
where: short stacking energy: -28.532
Base-Backbone interact. energy: 0.079
local terms energy: -53.067941
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -89.074406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074406 (E_RNA)
where:
Base-Base interactions energy: -42.214
where: short stacking energy: -25.318
Base-Backbone interact. energy: -0.362
local terms energy: -46.498484
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -70.290862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.290862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.290862 (E_RNA)
where:
Base-Base interactions energy: -26.007
where: short stacking energy: -26.003
Base-Backbone interact. energy: 0.066
local terms energy: -44.350418
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -90.191649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.191649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.191649 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.388
local terms energy: -53.380902
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.237
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: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -179.385446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385446 (E_RNA)
where:
Base-Base interactions energy: -120.604
where: short stacking energy: -44.467
Base-Backbone interact. energy: -0.258
local terms energy: -58.522852
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -179.204159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.204159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.204159 (E_RNA)
where:
Base-Base interactions energy: -111.547
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.005
local terms energy: -67.652343
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -171.241832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.241832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.241832 (E_RNA)
where:
Base-Base interactions energy: -111.203
where: short stacking energy: -51.512
Base-Backbone interact. energy: -1.324
local terms energy: -58.715056
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -162.316119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.316119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.316119 (E_RNA)
where:
Base-Base interactions energy: -96.926
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.151
local terms energy: -65.238710
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -163.699085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.699085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.699085 (E_RNA)
where:
Base-Base interactions energy: -112.026
where: short stacking energy: -45.174
Base-Backbone interact. energy: 0.484
local terms energy: -52.156923
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.524
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: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -110.431050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.431050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.431050 (E_RNA)
where:
Base-Base interactions energy: -57.905
where: short stacking energy: -32.068
Base-Backbone interact. energy: -0.021
local terms energy: -52.505769
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -92.136757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.136757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.136757 (E_RNA)
where:
Base-Base interactions energy: -47.865
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.050
local terms energy: -44.222266
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -3.574
flat angles P-C4'-P energy: -6.510
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: 471
Temperature: 1.250000
Total energy: -109.302606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.302606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.302606 (E_RNA)
where:
Base-Base interactions energy: -60.867
where: short stacking energy: -30.155
Base-Backbone interact. energy: -0.167
local terms energy: -48.267950
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -2.419
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -78.520528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.520528 (E_RNA)
where:
Base-Base interactions energy: -51.500
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.287
local terms energy: -26.733307
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -5.753
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -74.877086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.877086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.877086 (E_RNA)
where:
Base-Base interactions energy: -24.110
where: short stacking energy: -24.110
Base-Backbone interact. energy: -0.165
local terms energy: -50.602200
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -179.275494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.275494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275494 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -59.989
Base-Backbone interact. energy: 0.166
local terms energy: -64.970659
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -176.054497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.054497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.054497 (E_RNA)
where:
Base-Base interactions energy: -119.746
where: short stacking energy: -39.946
Base-Backbone interact. energy: -0.231
local terms energy: -56.077409
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -176.126781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.126781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.126781 (E_RNA)
where:
Base-Base interactions energy: -115.819
where: short stacking energy: -50.796
Base-Backbone interact. energy: -0.004
local terms energy: -60.304163
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -154.881735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.881735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.881735 (E_RNA)
where:
Base-Base interactions energy: -114.738
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.080
local terms energy: -40.063617
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -165.987453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.987453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.987453 (E_RNA)
where:
Base-Base interactions energy: -111.411
where: short stacking energy: -45.381
Base-Backbone interact. energy: -0.392
local terms energy: -54.184394
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -99.024643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.024643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.024643 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.077
local terms energy: -51.003965
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -108.485729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.485729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.485729 (E_RNA)
where:
Base-Base interactions energy: -46.463
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.052
local terms energy: -61.970546
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -90.003399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.003399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.003399 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -36.835
Base-Backbone interact. energy: 0.047
local terms energy: -50.716507
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -80.987637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987637 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -28.001
Base-Backbone interact. energy: -0.083
local terms energy: -41.817513
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -79.556225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.556225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.556225 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -20.472
Base-Backbone interact. energy: -1.738
local terms energy: -38.844481
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -5.422
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -183.898609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.898609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.898609 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.006
local terms energy: -65.202616
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -177.045938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.045938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.045938 (E_RNA)
where:
Base-Base interactions energy: -107.654
where: short stacking energy: -56.427
Base-Backbone interact. energy: 0.084
local terms energy: -69.475692
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -173.342248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342248 (E_RNA)
where:
Base-Base interactions energy: -107.029
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.228
local terms energy: -66.086178
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -168.574364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.574364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.574364 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -40.517
Base-Backbone interact. energy: -1.064
local terms energy: -57.908980
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.073
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: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -154.795174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.795174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.795174 (E_RNA)
where:
Base-Base interactions energy: -89.916
where: short stacking energy: -48.435
Base-Backbone interact. energy: -0.340
local terms energy: -64.538617
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -108.430074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.430074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.430074 (E_RNA)
where:
Base-Base interactions energy: -57.553
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.108
local terms energy: -50.769160
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -76.011268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.011268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.011268 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.867
local terms energy: -38.873799
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -84.216673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216673 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -22.939
Base-Backbone interact. energy: -0.103
local terms energy: -49.120792
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -5.304
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: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -76.812253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.812253 (E_RNA)
where:
Base-Base interactions energy: -27.202
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.062
local terms energy: -49.548637
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -71.546637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.546637 (E_RNA)
where:
Base-Base interactions energy: -25.915
where: short stacking energy: -21.849
Base-Backbone interact. energy: 0.534
local terms energy: -46.165370
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -189.884383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.884383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.884383 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.160
local terms energy: -69.371946
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -177.597663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.597663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.597663 (E_RNA)
where:
Base-Base interactions energy: -114.926
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.412
local terms energy: -62.259902
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -12.238
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: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -181.130498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.130498 (E_RNA)
where:
Base-Base interactions energy: -119.135
where: short stacking energy: -53.055
Base-Backbone interact. energy: -0.729
local terms energy: -61.266627
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -167.449930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.449930 (E_RNA)
where:
Base-Base interactions energy: -110.325
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.156
local terms energy: -56.968714
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -11.600
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: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -138.095641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.095641 (E_RNA)
where:
Base-Base interactions energy: -76.825
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.661
local terms energy: -60.609052
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -88.569696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569696 (E_RNA)
where:
Base-Base interactions energy: -32.387
where: short stacking energy: -30.505
Base-Backbone interact. energy: -0.009
local terms energy: -56.174026
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -96.955386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.955386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.955386 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -40.674
Base-Backbone interact. energy: -0.810
local terms energy: -55.471201
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -9.672
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: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -90.316046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.316046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.316046 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.009
local terms energy: -57.190893
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -7.252
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: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -74.770555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.770555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.770555 (E_RNA)
where:
Base-Base interactions energy: -26.146
where: short stacking energy: -20.146
Base-Backbone interact. energy: -0.318
local terms energy: -48.307472
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -10.076
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: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -72.766087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.766087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.766087 (E_RNA)
where:
Base-Base interactions energy: -24.825
where: short stacking energy: -23.948
Base-Backbone interact. energy: 0.384
local terms energy: -48.325695
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -177.179291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.179291 (E_RNA)
where:
Base-Base interactions energy: -119.406
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.107
local terms energy: -57.666746
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -178.616956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.616956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.616956 (E_RNA)
where:
Base-Base interactions energy: -109.406
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.384
local terms energy: -68.826838
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.092
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: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -168.050828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.050828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.050828 (E_RNA)
where:
Base-Base interactions energy: -103.772
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.118
local terms energy: -64.161442
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -12.438
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: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -161.851331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.851331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.851331 (E_RNA)
where:
Base-Base interactions energy: -102.489
where: short stacking energy: -45.454
Base-Backbone interact. energy: -0.179
local terms energy: -59.183063
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -161.127578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.127578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.127578 (E_RNA)
where:
Base-Base interactions energy: -101.170
where: short stacking energy: -53.457
Base-Backbone interact. energy: 1.158
local terms energy: -61.115106
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -87.293083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.293083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.293083 (E_RNA)
where:
Base-Base interactions energy: -35.193
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.019
local terms energy: -52.080833
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -6.070
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: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -82.974618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.974618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.974618 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -24.751
Base-Backbone interact. energy: -0.380
local terms energy: -51.825280
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -77.642981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.642981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.642981 (E_RNA)
where:
Base-Base interactions energy: -23.629
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.011
local terms energy: -54.003077
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.714
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -77.923336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.923336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.923336 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.245
local terms energy: -43.833023
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -4.300
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -78.734391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.734391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.734391 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.307
local terms energy: -42.782852
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: 0.624
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: 476
Temperature: 0.900000
Total energy: -182.056290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.056290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.056290 (E_RNA)
where:
Base-Base interactions energy: -112.635
where: short stacking energy: -57.886
Base-Backbone interact. energy: 0.618
local terms energy: -70.039544
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -185.458494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.458494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.458494 (E_RNA)
where:
Base-Base interactions energy: -115.004
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.717
local terms energy: -69.738146
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -176.492463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492463 (E_RNA)
where:
Base-Base interactions energy: -104.088
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.060
local terms energy: -72.343843
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -172.858929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858929 (E_RNA)
where:
Base-Base interactions energy: -109.591
where: short stacking energy: -53.441
Base-Backbone interact. energy: 0.208
local terms energy: -63.475244
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -170.200861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.200861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.200861 (E_RNA)
where:
Base-Base interactions energy: -104.228
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.083
local terms energy: -65.889951
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -97.002045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.002045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.002045 (E_RNA)
where:
Base-Base interactions energy: -40.102
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.102
local terms energy: -56.798409
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -10.177
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: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -83.984156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984156 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.008
local terms energy: -47.851174
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -5.847
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: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -76.426252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.426252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.426252 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -18.716
Base-Backbone interact. energy: -0.416
local terms energy: -44.127796
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -8.786
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: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -67.241242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.241242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.241242 (E_RNA)
where:
Base-Base interactions energy: -26.525
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.200
local terms energy: -40.516798
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -9.085
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: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -63.835873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.835873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.835873 (E_RNA)
where:
Base-Base interactions energy: -20.528
where: short stacking energy: -20.528
Base-Backbone interact. energy: -1.120
local terms energy: -42.188656
where:
bonds (distance) C4'-P energy: -6.435
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.688
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -194.702913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.702913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.702913 (E_RNA)
where:
Base-Base interactions energy: -127.600
where: short stacking energy: -59.465
Base-Backbone interact. energy: 0.069
local terms energy: -67.171678
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -184.483381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483381 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.596
local terms energy: -74.664653
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -173.365618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.365618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.365618 (E_RNA)
where:
Base-Base interactions energy: -106.904
where: short stacking energy: -54.505
Base-Backbone interact. energy: 0.408
local terms energy: -66.869922
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -157.097414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.097414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.097414 (E_RNA)
where:
Base-Base interactions energy: -108.706
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.009
local terms energy: -48.382516
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -161.622689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.622689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.622689 (E_RNA)
where:
Base-Base interactions energy: -97.530
where: short stacking energy: -45.429
Base-Backbone interact. energy: -0.132
local terms energy: -63.960579
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -87.109101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109101 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -37.420
Base-Backbone interact. energy: 2.996
local terms energy: -51.379327
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -78.742356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.742356 (E_RNA)
where:
Base-Base interactions energy: -28.910
where: short stacking energy: -24.016
Base-Backbone interact. energy: -0.004
local terms energy: -49.828503
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -70.892752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.892752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.892752 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -21.935
Base-Backbone interact. energy: -0.121
local terms energy: -41.768378
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: 2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -72.149379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.149379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.149379 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.089
local terms energy: -47.459303
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -71.153453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.153453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.153453 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -13.367
Base-Backbone interact. energy: -0.227
local terms energy: -31.020576
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: 3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -191.719156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719156 (E_RNA)
where:
Base-Base interactions energy: -127.231
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.414
local terms energy: -64.074211
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -6.664
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: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -174.531306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.531306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.531306 (E_RNA)
where:
Base-Base interactions energy: -109.849
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.094
local terms energy: -64.587387
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -179.171084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.171084 (E_RNA)
where:
Base-Base interactions energy: -117.329
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.956
local terms energy: -60.886187
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -169.943226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.943226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.943226 (E_RNA)
where:
Base-Base interactions energy: -105.351
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.010
local terms energy: -64.582408
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -151.952303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.952303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.952303 (E_RNA)
where:
Base-Base interactions energy: -95.784
where: short stacking energy: -47.581
Base-Backbone interact. energy: 0.106
local terms energy: -56.273755
where:
bonds (distance) C4'-P energy: -7.980
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -96.487767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.487767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.487767 (E_RNA)
where:
Base-Base interactions energy: -47.982
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.330
local terms energy: -48.176537
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -82.347049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.347049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.347049 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.009
local terms energy: -50.289832
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -82.819545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.819545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.819545 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.078
local terms energy: -45.590422
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -76.418755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.418755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.418755 (E_RNA)
where:
Base-Base interactions energy: -28.676
where: short stacking energy: -28.676
Base-Backbone interact. energy: -0.076
local terms energy: -47.666378
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -1.320
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -68.104286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.104286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.104286 (E_RNA)
where:
Base-Base interactions energy: -25.338
where: short stacking energy: -23.897
Base-Backbone interact. energy: -1.080
local terms energy: -41.685925
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -189.480075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.480075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.480075 (E_RNA)
where:
Base-Base interactions energy: -122.933
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.791
local terms energy: -65.756130
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -176.695448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.695448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.695448 (E_RNA)
where:
Base-Base interactions energy: -108.291
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.001
local terms energy: -68.402837
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -167.731255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.731255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.731255 (E_RNA)
where:
Base-Base interactions energy: -100.622
where: short stacking energy: -44.222
Base-Backbone interact. energy: -0.719
local terms energy: -66.389975
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -155.028320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.028320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.028320 (E_RNA)
where:
Base-Base interactions energy: -99.682
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.752
local terms energy: -54.593778
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -156.375712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.375712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.375712 (E_RNA)
where:
Base-Base interactions energy: -87.427
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.015
local terms energy: -68.934442
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -92.550170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.550170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.550170 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -25.417
Base-Backbone interact. energy: 1.948
local terms energy: -52.461087
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.396
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: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -89.969724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.969724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.969724 (E_RNA)
where:
Base-Base interactions energy: -51.173
where: short stacking energy: -15.922
Base-Backbone interact. energy: -0.267
local terms energy: -38.528977
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -102.186560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.186560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.186560 (E_RNA)
where:
Base-Base interactions energy: -52.427
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.024
local terms energy: -49.734811
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -76.716297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.716297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.716297 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -25.806
Base-Backbone interact. energy: 0.248
local terms energy: -44.694086
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.436929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.436929 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -28.744
Base-Backbone interact. energy: -0.006
local terms energy: -50.686739
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -6.683
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: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -176.669093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.669093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.669093 (E_RNA)
where:
Base-Base interactions energy: -111.767
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.217
local terms energy: -64.685263
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -175.766069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.766069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.766069 (E_RNA)
where:
Base-Base interactions energy: -109.771
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.712
local terms energy: -65.283169
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -174.337081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.337081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.337081 (E_RNA)
where:
Base-Base interactions energy: -110.731
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.766
local terms energy: -62.839895
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -16.069
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: 480
Temperature: 1.050000
Total energy: -159.705899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.705899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.705899 (E_RNA)
where:
Base-Base interactions energy: -103.327
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.124
local terms energy: -56.254499
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -16.438
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -168.715980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.715980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.715980 (E_RNA)
where:
Base-Base interactions energy: -104.019
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.578
local terms energy: -64.118692
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -14.504
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: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -100.400011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.400011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.400011 (E_RNA)
where:
Base-Base interactions energy: -51.924
where: short stacking energy: -32.605
Base-Backbone interact. energy: 1.922
local terms energy: -50.398242
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -102.749816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.749816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.749816 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.199
local terms energy: -51.611992
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -6.994
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: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -90.663400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663400 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -21.457
Base-Backbone interact. energy: -0.846
local terms energy: -46.992604
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -71.994935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.994935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.994935 (E_RNA)
where:
Base-Base interactions energy: -27.452
where: short stacking energy: -24.386
Base-Backbone interact. energy: -0.108
local terms energy: -44.434619
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -9.357
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.276382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.276382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.276382 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.001
local terms energy: -49.414053
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -170.097045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.097045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.097045 (E_RNA)
where:
Base-Base interactions energy: -107.443
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.062
local terms energy: -62.592188
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -175.729891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.729891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.729891 (E_RNA)
where:
Base-Base interactions energy: -112.097
where: short stacking energy: -46.068
Base-Backbone interact. energy: -0.100
local terms energy: -63.532778
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -4.540
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: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -166.474610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.474610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.474610 (E_RNA)
where:
Base-Base interactions energy: -101.856
where: short stacking energy: -47.363
Base-Backbone interact. energy: -0.407
local terms energy: -64.212258
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -166.642631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.642631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.642631 (E_RNA)
where:
Base-Base interactions energy: -99.568
where: short stacking energy: -46.538
Base-Backbone interact. energy: -0.144
local terms energy: -66.930702
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -12.396
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: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -158.931132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.931132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.931132 (E_RNA)
where:
Base-Base interactions energy: -94.895
where: short stacking energy: -46.672
Base-Backbone interact. energy: -0.309
local terms energy: -63.727015
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -84.166978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166978 (E_RNA)
where:
Base-Base interactions energy: -44.231
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.839
local terms energy: -39.096554
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -85.843490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.843490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.843490 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.271
local terms energy: -49.241437
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -80.951761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951761 (E_RNA)
where:
Base-Base interactions energy: -28.599
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.210
local terms energy: -52.142935
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -78.757506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.757506 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -29.878
Base-Backbone interact. energy: 0.964
local terms energy: -49.843288
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -66.696800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.696800 (E_RNA)
where:
Base-Base interactions energy: -21.963
where: short stacking energy: -20.160
Base-Backbone interact. energy: 0.728
local terms energy: -45.462373
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: 1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -189.445104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.445104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.445104 (E_RNA)
where:
Base-Base interactions energy: -113.647
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.595
local terms energy: -75.203267
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -175.107421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.107421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.107421 (E_RNA)
where:
Base-Base interactions energy: -112.622
where: short stacking energy: -54.093
Base-Backbone interact. energy: -0.250
local terms energy: -62.235296
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -14.677
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: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -165.382241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.382241 (E_RNA)
where:
Base-Base interactions energy: -101.543
where: short stacking energy: -50.295
Base-Backbone interact. energy: -0.624
local terms energy: -63.215277
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -159.163635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.163635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.163635 (E_RNA)
where:
Base-Base interactions energy: -96.276
where: short stacking energy: -46.416
Base-Backbone interact. energy: -0.047
local terms energy: -62.841042
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -12.034
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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -156.439640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.439640 (E_RNA)
where:
Base-Base interactions energy: -100.967
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.765
local terms energy: -54.708259
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -91.703766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703766 (E_RNA)
where:
Base-Base interactions energy: -36.690
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.208
local terms energy: -54.806334
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -113.509136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.509136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.509136 (E_RNA)
where:
Base-Base interactions energy: -61.928
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.023
local terms energy: -51.558278
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -6.110
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: 482
Temperature: 1.250000
Total energy: -78.043443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.043443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.043443 (E_RNA)
where:
Base-Base interactions energy: -26.983
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.117
local terms energy: -50.943610
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -8.803
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -73.078920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.078920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.078920 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.119
local terms energy: -44.505619
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -2.218
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: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -68.462905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.462905 (E_RNA)
where:
Base-Base interactions energy: -21.286
where: short stacking energy: -20.481
Base-Backbone interact. energy: -0.084
local terms energy: -47.092732
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -2.130
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: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -197.397508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.397508 (E_RNA)
where:
Base-Base interactions energy: -115.984
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.294
local terms energy: -81.119279
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -167.568378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.568378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.568378 (E_RNA)
where:
Base-Base interactions energy: -105.485
where: short stacking energy: -44.772
Base-Backbone interact. energy: -1.088
local terms energy: -60.995589
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -13.261
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: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -167.979041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.979041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.979041 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.325
local terms energy: -55.554674
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -159.196591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.196591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.196591 (E_RNA)
where:
Base-Base interactions energy: -100.630
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.030
local terms energy: -58.536082
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -7.560
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: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -164.171492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.171492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.171492 (E_RNA)
where:
Base-Base interactions energy: -111.140
where: short stacking energy: -45.599
Base-Backbone interact. energy: -0.868
local terms energy: -52.163390
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -105.429462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.429462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.429462 (E_RNA)
where:
Base-Base interactions energy: -63.005
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.001
local terms energy: -42.423782
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -80.842765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.842765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.842765 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -37.313
Base-Backbone interact. energy: -0.061
local terms energy: -42.483248
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -77.406958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406958 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.348
local terms energy: -50.261259
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -5.305
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: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -77.532952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.532952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.532952 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.420
local terms energy: -44.206821
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.233447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.233447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.233447 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -24.098
Base-Backbone interact. energy: 3.165
local terms energy: -47.868580
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -178.903978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.903978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.903978 (E_RNA)
where:
Base-Base interactions energy: -108.032
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.087
local terms energy: -70.785173
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -167.507762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.507762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.507762 (E_RNA)
where:
Base-Base interactions energy: -106.748
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.779
local terms energy: -59.980756
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.590
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -162.619297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.619297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.619297 (E_RNA)
where:
Base-Base interactions energy: -105.479
where: short stacking energy: -49.102
Base-Backbone interact. energy: -0.013
local terms energy: -57.127106
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -7.903
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -169.935913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.935913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.935913 (E_RNA)
where:
Base-Base interactions energy: -107.545
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.012
local terms energy: -62.379404
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -150.435201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.435201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.435201 (E_RNA)
where:
Base-Base interactions energy: -92.967
where: short stacking energy: -41.451
Base-Backbone interact. energy: 0.155
local terms energy: -57.622859
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -92.018832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.018832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.018832 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.014
local terms energy: -59.413246
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -90.292361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.292361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.292361 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -35.462
Base-Backbone interact. energy: -0.038
local terms energy: -53.643658
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -88.990660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.990660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.990660 (E_RNA)
where:
Base-Base interactions energy: -50.436
where: short stacking energy: -28.577
Base-Backbone interact. energy: 0.035
local terms energy: -38.589111
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -73.881648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.881648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.881648 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -16.698
Base-Backbone interact. energy: -0.038
local terms energy: -40.412145
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -7.188
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: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -75.339789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.339789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.339789 (E_RNA)
where:
Base-Base interactions energy: -25.093
where: short stacking energy: -18.382
Base-Backbone interact. energy: -0.237
local terms energy: -50.009648
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -1.226
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: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -185.710801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.710801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.710801 (E_RNA)
where:
Base-Base interactions energy: -118.455
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.469
local terms energy: -66.786958
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -164.144187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.144187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.144187 (E_RNA)
where:
Base-Base interactions energy: -105.399
where: short stacking energy: -45.356
Base-Backbone interact. energy: -0.535
local terms energy: -58.210809
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -6.729
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: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -154.963510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.963510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.963510 (E_RNA)
where:
Base-Base interactions energy: -97.178
where: short stacking energy: -42.118
Base-Backbone interact. energy: -1.049
local terms energy: -56.737035
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -165.621058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.621058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.621058 (E_RNA)
where:
Base-Base interactions energy: -99.882
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.405
local terms energy: -65.333852
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -141.986598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.986598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.986598 (E_RNA)
where:
Base-Base interactions energy: -80.529
where: short stacking energy: -38.711
Base-Backbone interact. energy: 1.008
local terms energy: -62.466307
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.365
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -73.076280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.076280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.076280 (E_RNA)
where:
Base-Base interactions energy: -29.977
where: short stacking energy: -17.804
Base-Backbone interact. energy: -1.116
local terms energy: -41.983324
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -85.677252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677252 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.033
local terms energy: -56.335917
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.942
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -75.809071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.809071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.809071 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -19.660
Base-Backbone interact. energy: -0.093
local terms energy: -44.056195
where:
bonds (distance) C4'-P energy: -7.244
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -66.590309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.590309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.590309 (E_RNA)
where:
Base-Base interactions energy: -25.687
where: short stacking energy: -24.367
Base-Backbone interact. energy: -0.850
local terms energy: -40.052981
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.339594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.339594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.339594 (E_RNA)
where:
Base-Base interactions energy: -34.915
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.294
local terms energy: -40.130971
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -11.793
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: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -170.573519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.573519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.573519 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.007
local terms energy: -67.558810
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.674
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: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -181.194096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194096 (E_RNA)
where:
Base-Base interactions energy: -120.095
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.266
local terms energy: -60.833465
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -171.186362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.186362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.186362 (E_RNA)
where:
Base-Base interactions energy: -107.141
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.001
local terms energy: -64.044292
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -166.761500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.761500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.761500 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.114
local terms energy: -62.677144
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -159.268962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.268962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.268962 (E_RNA)
where:
Base-Base interactions energy: -100.586
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.030
local terms energy: -58.652944
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -92.184131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.184131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.184131 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.105
local terms energy: -44.758708
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -2.920
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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -78.805924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.805924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.805924 (E_RNA)
where:
Base-Base interactions energy: -33.106
where: short stacking energy: -20.575
Base-Backbone interact. energy: -1.462
local terms energy: -44.237869
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: 3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -81.371663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.371663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.371663 (E_RNA)
where:
Base-Base interactions energy: -20.793
where: short stacking energy: -20.793
Base-Backbone interact. energy: -0.082
local terms energy: -60.496390
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -74.462291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.462291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.462291 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -28.212
Base-Backbone interact. energy: 0.938
local terms energy: -42.586340
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -75.588914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.588914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.588914 (E_RNA)
where:
Base-Base interactions energy: -32.636
where: short stacking energy: -23.873
Base-Backbone interact. energy: -0.007
local terms energy: -42.945951
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -171.101740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.101740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.101740 (E_RNA)
where:
Base-Base interactions energy: -106.375
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.696
local terms energy: -64.031007
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -167.563928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.563928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.563928 (E_RNA)
where:
Base-Base interactions energy: -107.510
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.738
local terms energy: -59.315213
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -1.989
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -168.087091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.087091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.087091 (E_RNA)
where:
Base-Base interactions energy: -101.489
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.057
local terms energy: -66.541385
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -163.909544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.909544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.909544 (E_RNA)
where:
Base-Base interactions energy: -97.088
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.007
local terms energy: -66.814029
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.622
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: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -164.212519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.212519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.212519 (E_RNA)
where:
Base-Base interactions energy: -102.567
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.351
local terms energy: -61.293699
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -96.321305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321305 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.057
local terms energy: -51.572178
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -77.985100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.985100 (E_RNA)
where:
Base-Base interactions energy: -26.974
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.088
local terms energy: -50.923075
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -80.988440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.988440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.988440 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.370
local terms energy: -48.737157
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: 1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -77.209340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.209340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.209340 (E_RNA)
where:
Base-Base interactions energy: -25.898
where: short stacking energy: -25.898
Base-Backbone interact. energy: 0.961
local terms energy: -52.272666
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.770
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: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -69.190869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.190869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.190869 (E_RNA)
where:
Base-Base interactions energy: -26.136
where: short stacking energy: -25.136
Base-Backbone interact. energy: -0.178
local terms energy: -42.876987
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -3.820
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: 488
Temperature: 0.900000
Total energy: -179.053830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.053830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.053830 (E_RNA)
where:
Base-Base interactions energy: -118.066
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.112
local terms energy: -60.875088
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -181.372649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.372649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.372649 (E_RNA)
where:
Base-Base interactions energy: -111.334
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.001
local terms energy: -70.037267
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -178.691620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.691620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.691620 (E_RNA)
where:
Base-Base interactions energy: -117.038
where: short stacking energy: -45.431
Base-Backbone interact. energy: -0.368
local terms energy: -61.285358
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -13.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -167.681004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.681004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.681004 (E_RNA)
where:
Base-Base interactions energy: -105.799
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.475
local terms energy: -61.407495
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -160.244652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.244652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.244652 (E_RNA)
where:
Base-Base interactions energy: -91.810
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.247
local terms energy: -68.187001
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -86.455405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.455405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.455405 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -26.923
Base-Backbone interact. energy: 0.328
local terms energy: -46.700882
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -92.581285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581285 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -18.762
Base-Backbone interact. energy: -0.043
local terms energy: -50.715096
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -74.171920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.171920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.171920 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -21.083
Base-Backbone interact. energy: -0.466
local terms energy: -48.629659
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: 3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -73.273656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.273656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.273656 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.269
local terms energy: -37.311293
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -7.005
flat angles P-C4'-P energy: -7.097
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: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -65.368042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.368042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.368042 (E_RNA)
where:
Base-Base interactions energy: -17.433
where: short stacking energy: -17.218
Base-Backbone interact. energy: 0.962
local terms energy: -48.897049
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -176.146161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.146161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.146161 (E_RNA)
where:
Base-Base interactions energy: -104.610
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.061
local terms energy: -71.475486
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -186.425895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.425895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425895 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.261
local terms energy: -63.960355
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -6.510
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: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -170.756236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.756236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.756236 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.689
local terms energy: -57.124005
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -161.773176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.773176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.773176 (E_RNA)
where:
Base-Base interactions energy: -107.884
where: short stacking energy: -45.647
Base-Backbone interact. energy: -0.968
local terms energy: -52.921421
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -162.358381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.358381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.358381 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.206
local terms energy: -57.965897
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: -12.441
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: 489
Temperature: 1.150000
Total energy: -87.201281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.201281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.201281 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.008
local terms energy: -55.628019
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.150
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: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -76.195395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.195395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.195395 (E_RNA)
where:
Base-Base interactions energy: -41.087
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.065
local terms energy: -35.043258
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: 0.743
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: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -76.415233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.415233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.415233 (E_RNA)
where:
Base-Base interactions energy: -36.341
where: short stacking energy: -26.078
Base-Backbone interact. energy: 0.865
local terms energy: -40.939240
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -77.320031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.320031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.320031 (E_RNA)
where:
Base-Base interactions energy: -27.426
where: short stacking energy: -19.756
Base-Backbone interact. energy: 0.687
local terms energy: -50.581377
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -65.368944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.368944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.368944 (E_RNA)
where:
Base-Base interactions energy: -15.858
where: short stacking energy: -15.240
Base-Backbone interact. energy: -0.159
local terms energy: -49.351977
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -176.536045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.536045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.536045 (E_RNA)
where:
Base-Base interactions energy: -110.090
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.926
local terms energy: -65.520006
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -12.442
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: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -180.178036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.178036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.178036 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.707
local terms energy: -64.554799
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -17.761
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: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -183.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.912087 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -49.948
Base-Backbone interact. energy: 2.156
local terms energy: -53.533834
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -7.615
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -15.746
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: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -176.926018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.926018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.926018 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.626
local terms energy: -55.479375
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -169.099206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.099206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.099206 (E_RNA)
where:
Base-Base interactions energy: -99.987
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.435
local terms energy: -68.677162
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -96.054406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.054406 (E_RNA)
where:
Base-Base interactions energy: -39.722
where: short stacking energy: -31.454
Base-Backbone interact. energy: -0.037
local terms energy: -56.295294
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -81.063243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.063243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.063243 (E_RNA)
where:
Base-Base interactions energy: -34.625
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.324
local terms energy: -46.114354
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.881
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: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -80.533183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.533183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.533183 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -23.391
Base-Backbone interact. energy: -0.777
local terms energy: -37.084633
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -80.812320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.812320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.812320 (E_RNA)
where:
Base-Base interactions energy: -26.601
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.685
local terms energy: -53.526223
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -74.354523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.354523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.354523 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.000
local terms energy: -44.822120
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -165.940377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.940377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.940377 (E_RNA)
where:
Base-Base interactions energy: -102.878
where: short stacking energy: -47.877
Base-Backbone interact. energy: -0.014
local terms energy: -63.047869
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -184.704107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704107 (E_RNA)
where:
Base-Base interactions energy: -120.164
where: short stacking energy: -44.714
Base-Backbone interact. energy: -0.047
local terms energy: -64.493508
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.421
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: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -174.075940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.075940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.075940 (E_RNA)
where:
Base-Base interactions energy: -113.548
where: short stacking energy: -44.590
Base-Backbone interact. energy: -0.559
local terms energy: -59.968803
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -11.986
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: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -173.772695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.772695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.772695 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.244
local terms energy: -64.028959
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -16.118
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: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -166.822611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.822611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.822611 (E_RNA)
where:
Base-Base interactions energy: -109.636
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.642
local terms energy: -56.544555
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -84.634955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634955 (E_RNA)
where:
Base-Base interactions energy: -30.436
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.100
local terms energy: -54.099329
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -5.356
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: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -89.847069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.847069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.847069 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.061
local terms energy: -45.101053
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -74.838523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.838523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.838523 (E_RNA)
where:
Base-Base interactions energy: -22.388
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.268
local terms energy: -52.182578
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -5.295
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: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -70.046225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046225 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.342
local terms energy: -42.963432
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.030
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: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -73.469016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.469016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.469016 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.130
local terms energy: -44.578818
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -187.812845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812845 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -50.893
Base-Backbone interact. energy: 0.571
local terms energy: -63.024361
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -4.996
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: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -169.892303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.892303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.892303 (E_RNA)
where:
Base-Base interactions energy: -102.508
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.217
local terms energy: -67.167385
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -170.424044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.424044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.424044 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.001
local terms energy: -57.833958
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -166.083090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.083090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.083090 (E_RNA)
where:
Base-Base interactions energy: -96.427
where: short stacking energy: -52.679
Base-Backbone interact. energy: -0.466
local terms energy: -69.189948
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -166.352080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.352080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.352080 (E_RNA)
where:
Base-Base interactions energy: -110.929
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.094
local terms energy: -55.329492
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -14.415
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: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -94.818626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.818626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.818626 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.195
local terms energy: -51.118538
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.361
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: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -94.467001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.467001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.467001 (E_RNA)
where:
Base-Base interactions energy: -39.754
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.268
local terms energy: -54.444951
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -79.140898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.140898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.140898 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -27.849
Base-Backbone interact. energy: -0.040
local terms energy: -51.252166
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -71.347982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.347982 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.142
local terms energy: -39.975038
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -76.465449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.465449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.465449 (E_RNA)
where:
Base-Base interactions energy: -28.652
where: short stacking energy: -31.958
Base-Backbone interact. energy: -0.359
local terms energy: -47.454462
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -185.775763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.775763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775763 (E_RNA)
where:
Base-Base interactions energy: -126.167
where: short stacking energy: -49.297
Base-Backbone interact. energy: -1.146
local terms energy: -58.462981
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -180.775645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.775645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.775645 (E_RNA)
where:
Base-Base interactions energy: -118.862
where: short stacking energy: -56.279
Base-Backbone interact. energy: -0.153
local terms energy: -61.760525
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.572
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -178.109024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.109024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.109024 (E_RNA)
where:
Base-Base interactions energy: -106.985
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.007
local terms energy: -71.117527
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -16.205
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -165.620070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620070 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.238
local terms energy: -52.645467
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -165.483038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.483038 (E_RNA)
where:
Base-Base interactions energy: -104.165
where: short stacking energy: -49.775
Base-Backbone interact. energy: -0.492
local terms energy: -60.826082
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -14.184
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: 493
Temperature: 1.150000
Total energy: -94.465213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.465213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.465213 (E_RNA)
where:
Base-Base interactions energy: -49.530
where: short stacking energy: -25.790
Base-Backbone interact. energy: 1.800
local terms energy: -46.734722
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -4.201
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: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -78.537083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.537083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.537083 (E_RNA)
where:
Base-Base interactions energy: -34.040
where: short stacking energy: -23.691
Base-Backbone interact. energy: -0.230
local terms energy: -44.267324
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -6.514
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: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -82.495049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.495049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.495049 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.158
local terms energy: -43.821795
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -73.257033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.257033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.257033 (E_RNA)
where:
Base-Base interactions energy: -29.743
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.617
local terms energy: -42.896478
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -73.217582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.217582 (E_RNA)
where:
Base-Base interactions energy: -26.814
where: short stacking energy: -26.324
Base-Backbone interact. energy: -0.173
local terms energy: -46.231102
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -7.334
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: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -189.615059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.615059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615059 (E_RNA)
where:
Base-Base interactions energy: -121.982
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.293
local terms energy: -67.339862
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -177.193975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.193975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.193975 (E_RNA)
where:
Base-Base interactions energy: -114.321
where: short stacking energy: -52.496
Base-Backbone interact. energy: -2.502
local terms energy: -60.371080
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -11.943
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: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -167.177036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.177036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.177036 (E_RNA)
where:
Base-Base interactions energy: -112.010
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.502
local terms energy: -54.664419
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -162.380475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.380475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.380475 (E_RNA)
where:
Base-Base interactions energy: -99.748
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.021
local terms energy: -62.612311
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -96.949872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.949872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.949872 (E_RNA)
where:
Base-Base interactions energy: -47.605
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.031
local terms energy: -49.313759
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -160.347234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.347234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.347234 (E_RNA)
where:
Base-Base interactions energy: -110.559
where: short stacking energy: -52.316
Base-Backbone interact. energy: -0.871
local terms energy: -48.917406
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -84.203989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.203989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.203989 (E_RNA)
where:
Base-Base interactions energy: -29.807
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.198
local terms energy: -54.198675
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -72.196159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.196159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.196159 (E_RNA)
where:
Base-Base interactions energy: -22.308
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.096
local terms energy: -49.792156
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -84.829966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829966 (E_RNA)
where:
Base-Base interactions energy: -44.813
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.205
local terms energy: -39.811658
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -3.506
flat angles P-C4'-P energy: -4.237
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -71.052108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.052108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.052108 (E_RNA)
where:
Base-Base interactions energy: -24.200
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.114
local terms energy: -46.738712
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -189.091682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.091682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.091682 (E_RNA)
where:
Base-Base interactions energy: -127.307
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.446
local terms energy: -61.338596
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -180.624218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.624218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.624218 (E_RNA)
where:
Base-Base interactions energy: -112.414
where: short stacking energy: -53.073
Base-Backbone interact. energy: -1.302
local terms energy: -66.908790
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -160.849569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.849569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.849569 (E_RNA)
where:
Base-Base interactions energy: -94.976
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.002
local terms energy: -65.872264
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -169.432293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.432293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.432293 (E_RNA)
where:
Base-Base interactions energy: -110.960
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.149
local terms energy: -58.322373
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -95.039827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.039827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.039827 (E_RNA)
where:
Base-Base interactions energy: -46.598
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.163
local terms energy: -48.278240
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -5.808
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: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -100.007103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.007103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.007103 (E_RNA)
where:
Base-Base interactions energy: -50.799
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.678
local terms energy: -48.530896
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -81.830025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830025 (E_RNA)
where:
Base-Base interactions energy: -34.112
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.165
local terms energy: -47.553360
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.396
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: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -80.238199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238199 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -23.169
Base-Backbone interact. energy: -1.105
local terms energy: -54.401287
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -2.192
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: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -70.762314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.762314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.762314 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -15.124
Base-Backbone interact. energy: -0.646
local terms energy: -31.794378
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: 3.260
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: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -67.613774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.613774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.613774 (E_RNA)
where:
Base-Base interactions energy: -27.314
where: short stacking energy: -20.442
Base-Backbone interact. energy: 0.948
local terms energy: -41.248248
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -190.374677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.374677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.374677 (E_RNA)
where:
Base-Base interactions energy: -127.467
where: short stacking energy: -46.845
Base-Backbone interact. energy: 0.578
local terms energy: -63.485359
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -171.618555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.618555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.618555 (E_RNA)
where:
Base-Base interactions energy: -107.126
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.055
local terms energy: -64.436955
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -167.178249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.178249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.178249 (E_RNA)
where:
Base-Base interactions energy: -98.742
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.016
local terms energy: -68.420052
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -17.654
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: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -165.302564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.302564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.302564 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.082
local terms energy: -60.169053
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -112.216140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.216140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.216140 (E_RNA)
where:
Base-Base interactions energy: -58.199
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.110
local terms energy: -53.907924
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -90.809047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.809047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.809047 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -21.199
Base-Backbone interact. energy: -0.065
local terms energy: -49.703344
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -2.946
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: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -86.783392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783392 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -35.815
Base-Backbone interact. energy: 0.250
local terms energy: -51.145730
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -5.834
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: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -83.204517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.204517 (E_RNA)
where:
Base-Base interactions energy: -32.763
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.334
local terms energy: -50.107109
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -3.643
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: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -76.954432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.954432 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.627
local terms energy: -43.044181
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -63.783444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.783444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.783444 (E_RNA)
where:
Base-Base interactions energy: -23.855
where: short stacking energy: -15.268
Base-Backbone interact. energy: 0.155
local terms energy: -40.083873
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -186.971328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.971328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.971328 (E_RNA)
where:
Base-Base interactions energy: -125.570
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.750
local terms energy: -60.651415
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -176.665511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.665511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.665511 (E_RNA)
where:
Base-Base interactions energy: -116.371
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.009
local terms energy: -60.285731
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -6.043
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: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -183.487884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.487884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.487884 (E_RNA)
where:
Base-Base interactions energy: -112.122
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.000
local terms energy: -71.364983
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -161.763534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.763534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.763534 (E_RNA)
where:
Base-Base interactions energy: -96.909
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.159
local terms energy: -64.695362
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -98.496053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.496053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.496053 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.002
local terms energy: -63.210002
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -104.228771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.228771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.228771 (E_RNA)
where:
Base-Base interactions energy: -60.014
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.055
local terms energy: -44.160361
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -81.792218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.792218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.792218 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -20.567
Base-Backbone interact. energy: 0.870
local terms energy: -45.048586
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -82.188131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.188131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.188131 (E_RNA)
where:
Base-Base interactions energy: -33.399
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.255
local terms energy: -48.534084
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -69.036681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.036681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.036681 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.291
local terms energy: -43.085144
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -65.719422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.719422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.719422 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -22.284
Base-Backbone interact. energy: 0.744
local terms energy: -39.700825
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -170.380186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.380186 (E_RNA)
where:
Base-Base interactions energy: -102.859
where: short stacking energy: -49.389
Base-Backbone interact. energy: -1.628
local terms energy: -65.892564
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -12.642
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: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -173.420900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.420900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.420900 (E_RNA)
where:
Base-Base interactions energy: -107.268
where: short stacking energy: -53.670
Base-Backbone interact. energy: 0.597
local terms energy: -66.750076
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -12.253
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -168.805879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805879 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.304
local terms energy: -58.355910
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -165.710618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.710618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.710618 (E_RNA)
where:
Base-Base interactions energy: -92.875
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.014
local terms energy: -72.821685
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.228
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: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -91.167871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.167871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.167871 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.156
local terms energy: -49.049563
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -3.644
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: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -87.152525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.152525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.152525 (E_RNA)
where:
Base-Base interactions energy: -39.313
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.021
local terms energy: -47.818603
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -83.006683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.006683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.006683 (E_RNA)
where:
Base-Base interactions energy: -31.919
where: short stacking energy: -28.506
Base-Backbone interact. energy: -0.448
local terms energy: -50.639833
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -4.636
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: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -77.199879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.199879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.199879 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -18.505
Base-Backbone interact. energy: 1.787
local terms energy: -39.592350
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -76.401741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.401741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.401741 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.301
local terms energy: -46.011008
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -81.399346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.399346 (E_RNA)
where:
Base-Base interactions energy: -28.044
where: short stacking energy: -28.044
Base-Backbone interact. energy: -0.075
local terms energy: -53.280526
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -179.661698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.661698 (E_RNA)
where:
Base-Base interactions energy: -117.094
where: short stacking energy: -52.127
Base-Backbone interact. energy: -0.280
local terms energy: -62.287810
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -165.917439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.917439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.917439 (E_RNA)
where:
Base-Base interactions energy: -100.649
where: short stacking energy: -49.957
Base-Backbone interact. energy: 0.255
local terms energy: -65.523348
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -174.378763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.378763 (E_RNA)
where:
Base-Base interactions energy: -112.163
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.078
local terms energy: -62.138423
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -177.755591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.755591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.755591 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -50.386
Base-Backbone interact. energy: -0.357
local terms energy: -65.805076
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -99.184948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.184948 (E_RNA)
where:
Base-Base interactions energy: -56.720
where: short stacking energy: -40.635
Base-Backbone interact. energy: -0.544
local terms energy: -41.921383
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -105.866316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866316 (E_RNA)
where:
Base-Base interactions energy: -46.104
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.005
local terms energy: -59.757556
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -13.817
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: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -77.873239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.873239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.873239 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.342
local terms energy: -46.000708
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.403
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: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -82.878697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.878697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.878697 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -32.666
Base-Backbone interact. energy: 1.355
local terms energy: -51.568358
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -88.723559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.723559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.723559 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -30.767
Base-Backbone interact. energy: 0.025
local terms energy: -41.616299
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -5.355
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: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -68.437349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.437349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.437349 (E_RNA)
where:
Base-Base interactions energy: -16.324
where: short stacking energy: -11.537
Base-Backbone interact. energy: -0.358
local terms energy: -51.755479
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -5.352
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: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -178.318273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.318273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.318273 (E_RNA)
where:
Base-Base interactions energy: -115.279
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.048
local terms energy: -62.990666
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -176.625178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.625178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.625178 (E_RNA)
where:
Base-Base interactions energy: -108.117
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.014
local terms energy: -68.495090
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -177.923315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.923315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.923315 (E_RNA)
where:
Base-Base interactions energy: -114.143
where: short stacking energy: -57.959
Base-Backbone interact. energy: 0.030
local terms energy: -63.810804
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -156.349066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.349066 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.241
local terms energy: -56.029880
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -7.330
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: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -109.135138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.135138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.135138 (E_RNA)
where:
Base-Base interactions energy: -56.776
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.373
local terms energy: -51.986188
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -124.277741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.277741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.277741 (E_RNA)
where:
Base-Base interactions energy: -72.697
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.030
local terms energy: -51.550768
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -74.191488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.191488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.191488 (E_RNA)
where:
Base-Base interactions energy: -18.106
where: short stacking energy: -18.087
Base-Backbone interact. energy: -0.036
local terms energy: -56.049004
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -11.023
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: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -78.787170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.787170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.787170 (E_RNA)
where:
Base-Base interactions energy: -30.240
where: short stacking energy: -29.511
Base-Backbone interact. energy: -0.159
local terms energy: -48.388747
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -82.060449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.060449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.060449 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.064
local terms energy: -47.555690
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -73.697280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.697280 (E_RNA)
where:
Base-Base interactions energy: -30.207
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.502
local terms energy: -42.989218
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -181.922339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.922339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.922339 (E_RNA)
where:
Base-Base interactions energy: -123.200
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.110
local terms energy: -58.611920
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -6.854
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: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -174.036787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.036787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.036787 (E_RNA)
where:
Base-Base interactions energy: -106.905
where: short stacking energy: -54.498
Base-Backbone interact. energy: -0.005
local terms energy: -67.127181
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -169.150314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.150314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.150314 (E_RNA)
where:
Base-Base interactions energy: -110.796
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.190
local terms energy: -58.164616
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -108.094667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.094667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.094667 (E_RNA)
where:
Base-Base interactions energy: -60.865
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.130
local terms energy: -47.099613
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -10.134
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: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -141.956356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.956356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.956356 (E_RNA)
where:
Base-Base interactions energy: -94.403
where: short stacking energy: -37.325
Base-Backbone interact. energy: -0.328
local terms energy: -47.225871
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -5.950
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -6.241
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: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -89.517679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517679 (E_RNA)
where:
Base-Base interactions energy: -44.798
where: short stacking energy: -21.851
Base-Backbone interact. energy: -0.140
local terms energy: -44.579059
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -100.036871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.036871 (E_RNA)
where:
Base-Base interactions energy: -44.075
where: short stacking energy: -23.329
Base-Backbone interact. energy: 0.610
local terms energy: -56.571901
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -83.763948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.763948 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.092
local terms energy: -46.297374
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -3.241
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: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -75.567065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.567065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.567065 (E_RNA)
where:
Base-Base interactions energy: -42.429
where: short stacking energy: -15.970
Base-Backbone interact. energy: 1.903
local terms energy: -35.041609
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: 3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -103.320156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.320156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.320156 (E_RNA)
where:
Base-Base interactions energy: -51.444
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.619
local terms energy: -51.256796
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -6.115
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12664982
moves confirmed later: 14380927
all moves confirmed: 27045909
percent of confirmed moves: 3.380739
current total energy: -145.124009
recalc. total energy: -145.124009
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18694527
moves confirmed later: 22499855
all moves confirmed: 41194382
percent of confirmed moves: 5.149298
current total energy: -145.535797
recalc. total energy: -145.535797
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 19845868
moves confirmed later: 24010115
all moves confirmed: 43855983
percent of confirmed moves: 5.481998
current total energy: -120.460770
recalc. total energy: -120.460770
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21369885
moves confirmed later: 26051827
all moves confirmed: 47421712
percent of confirmed moves: 5.927714
current total energy: -70.590794
recalc. total energy: -70.590794
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 13719806
moves confirmed later: 15816407
all moves confirmed: 29536213
percent of confirmed moves: 3.692027
current total energy: -99.624955
recalc. total energy: -99.624955
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19472188
moves confirmed later: 23516229
all moves confirmed: 42988417
percent of confirmed moves: 5.373552
current total energy: -69.512948
recalc. total energy: -69.512948
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 22564742
moves confirmed later: 27653994
all moves confirmed: 50218736
percent of confirmed moves: 6.277342
current total energy: -57.783905
recalc. total energy: -57.783905
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16953157
moves confirmed later: 20149284
all moves confirmed: 37102441
percent of confirmed moves: 4.637805
current total energy: -24.373087
recalc. total energy: -24.373087
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 18416839
moves confirmed later: 22095020
all moves confirmed: 40511859
percent of confirmed moves: 5.063982
current total energy: -23.367877
recalc. total energy: -23.367877
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 17890528
moves confirmed later: 21397177
all moves confirmed: 39287705
percent of confirmed moves: 4.910963
current total energy: -36.392560
recalc. total energy: -36.392560
out arg RESULTS//1/hi-5e752c3b_01
Time of doing 8000000 iterations: 2360.502 seconds